2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide

C123H113Br6F6N11O19 — CID 173213057

IUPAC2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Br)cc2)c2cc(F)c(OC)cc12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(Br)cc2)c2cc(F)c(OC)cc12.CNC(=O)Cc1c(C)n(C(=O)c2ccc(Br)cc2)c2cc(F)c(OC)cc12.COc1cc2c(CC(=O)NC(C)C)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1F.COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1F.COc1cc2c(CC(N)=O)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1F
InChIInChI=1S/2C22H22BrFN2O3.C21H20BrFN2O3.C20H18BrFN2O3.C19H16BrFN2O3.C19H15BrFNO4/c1-12(2)25-21(27)10-16-13(3)26(22(28)14-5-7-15(23)8-6-14)19-11-18(24)20(29-4)9-17(16)19;1-4-9-25-21(27)11-16-13(2)26(22(28)14-5-7-15(23)8-6-14)19-12-18(24)20(29-3)10-17(16)19;1-4-24-20(26)10-15-12(2)25(21(27)13-5-7-14(22)8-6-13)18-11-17(23)19(28-3)9-16(15)18;1-11-14(9-19(25)23-2)15-8-18(27-3)16(22)10-17(15)24(11)20(26)12-4-6-13(21)7-5-12;1-10-13(8-18(22)24)14-7-17(26-2)15(21)9-16(14)23(10)19(25)11-3-5-12(20)6-4-11;1-10-13(8-18(23)24)14-7-17(26-2)15(21)9-16(14)22(10)19(25)11-3-5-12(20)6-4-11/h5-9,11-12H,10H2,1-4H3,(H,25,27);5-8,10,12H,4,9,11H2,1-3H3,(H,25,27);5-9,11H,4,10H2,1-3H3,(H,24,26);4-8,10H,9H2,1-3H3,(H,23,25);3-7,9H,8H2,1-2H3,(H2,22,24);3-7,9H,8H2,1-2H3,(H,23,24)
InChIKeyZYPJQQJIYXJCGO-UHFFFAOYSA-N
MW2642.73 g/mol
LogP25.05
Rot. Bonds28

About 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide

2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide (PubChem CID 173213057) has the molecular formula C123H113Br6F6N11O19 and a molecular weight of 2642.73 g/mol. Its IUPAC name is 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide
PubChem CID173213057
Molecular FormulaC123H113Br6F6N11O19
Molecular Weight2642.73 g/mol
Exact Mass2635.32
IUPAC Name2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Br)cc2)c2cc(F)c(OC)cc12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(Br)cc2)c2cc(F)c(OC)cc12.CNC(=O)Cc1c(C)n(C(=O)c2ccc(Br)cc2)c2cc(F)c(OC)cc12.COc1cc2c(CC(=O)NC(C)C)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1F.COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1F.COc1cc2c(CC(N)=O)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1F
InChIInChI=1S/2C22H22BrFN2O3.C21H20BrFN2O3.C20H18BrFN2O3.C19H16BrFN2O3.C19H15BrFNO4/c1-12(2)25-21(27)10-16-13(3)26(22(28)14-5-7-15(23)8-6-14)19-11-18(24)20(29-4)9-17(16)19;1-4-9-25-21(27)11-16-13(2)26(22(28)14-5-7-15(23)8-6-14)19-12-18(24)20(29-3)10-17(16)19;1-4-24-20(26)10-15-12(2)25(21(27)13-5-7-14(22)8-6-13)18-11-17(23)19(28-3)9-16(15)18;1-11-14(9-19(25)23-2)15-8-18(27-3)16(22)10-17(15)24(11)20(26)12-4-6-13(21)7-5-12;1-10-13(8-18(22)24)14-7-17(26-2)15(21)9-16(14)23(10)19(25)11-3-5-12(20)6-4-11;1-10-13(8-18(23)24)14-7-17(26-2)15(21)9-16(14)22(10)19(25)11-3-5-12(20)6-4-11/h5-9,11-12H,10H2,1-4H3,(H,25,27);5-8,10,12H,4,9,11H2,1-3H3,(H,25,27);5-9,11H,4,10H2,1-3H3,(H,24,26);4-8,10H,9H2,1-3H3,(H,23,25);3-7,9H,8H2,1-2H3,(H2,22,24);3-7,9H,8H2,1-2H3,(H,23,24)
InChIKeyZYPJQQJIYXJCGO-UHFFFAOYSA-N
XLogP25.05
TPSA384.17 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002642.73
LogP ≤ 525.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide?
The IUPAC name of 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide (CID 173213057) is 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide is CCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Br)cc2)c2cc(F)c(OC)cc12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(Br)cc2)c2cc(F)c(OC)cc12.CNC(=O)Cc1c(C)n(C(=O)c2ccc(Br)cc2)c2cc(F)c(OC)cc12.COc1cc2c(CC(=O)NC(C)C)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1F.COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1F.COc1cc2c(CC(N)=O)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1F.
What is the InChIKey of 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide?
The InChIKey is ZYPJQQJIYXJCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22BrFN2O3.C21H20BrFN2O3.C20H18BrFN2O3.C19H16BrFN2O3.C19H15BrFNO4/c1-12(2)25-21(27)10-16-13(3)26(22(28)14-5-7-15(23)8-6-14)19-11-18(24)20(29-4)9-17(16)19;1-4-9-25-21(27)11-16-13(2)26(22(28)14-5-7-15(23)8-6-14)19-12-18(24)20(29-3)10-17(16)19;1-4-24-20(26)10-15-12(2)25(21(27)13-5-7-14(22)8-6-13)18-11-17(23)19(28-3)9-16(15)18;1-11-14(9-19(25)23-2)15-8-18(27-3)16(22)10-17(15)24(11)20(26)12-4-6-13(21)7-5-12;1-10-13(8-18(22)24)14-7-17(26-2)15(21)9-16(14)23(10)19(25)11-3-5-12(20)6-4-11;1-10-13(8-18(23)24)14-7-17(26-2)15(21)9-16(14)22(10)19(25)11-3-5-12(20)6-4-11/h5-9,11-12H,10H2,1-4H3,(H,25,27);5-8,10,12H,4,9,11H2,1-3H3,(H,25,27);5-9,11H,4,10H2,1-3H3,(H,24,26);4-8,10H,9H2,1-3H3,(H,23,25);3-7,9H,8H2,1-2H3,(H2,22,24);3-7,9H,8H2,1-2H3,(H,23,24).
What are the key properties of 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide?
2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide has a molecular weight of 2642.73 g/mol, XLogP of 25.05, 28 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-ethylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-methylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide;2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propylacetamide is sourced from PubChem (CID 173213057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).