2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane

C48H49Br2Cl2F2N7O7 — CID 158517535

IUPAC2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane
SMILESC.NC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Br)cc12.NC(=O)c1cn(CC(=O)O)c2ccc(Br)cc12.O=C(CCC1CC1)NCc1cccc(Cl)c1F
InChIInChI=1S/C23H21BrClFN4O3.C13H15ClFNO.C11H9BrN2O3.CH4/c24-14-4-7-19-16(8-14)17(23(27)33)10-29(19)12-21(32)30(15-5-6-15)11-20(31)28-9-13-2-1-3-18(25)22(13)26;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;12-6-1-2-9-7(3-6)8(11(13)17)4-14(9)5-10(15)16;/h1-4,7-8,10,15H,5-6,9,11-12H2,(H2,27,33)(H,28,31);1-3,9H,4-8H2,(H,16,17);1-4H,5H2,(H2,13,17)(H,15,16);1H4
InChIKeyHLUUDGISRADQHO-UHFFFAOYSA-N
MW1104.67 g/mol
LogP9.11
Rot. Bonds16

About 2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane

2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane (PubChem CID 158517535) has the molecular formula C48H49Br2Cl2F2N7O7 and a molecular weight of 1104.67 g/mol. Its IUPAC name is 2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane.

Molecular Properties

Compound Name2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane
PubChem CID158517535
Molecular FormulaC48H49Br2Cl2F2N7O7
Molecular Weight1104.67 g/mol
Exact Mass1101.14
IUPAC Name2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane
SMILESC.NC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Br)cc12.NC(=O)c1cn(CC(=O)O)c2ccc(Br)cc12.O=C(CCC1CC1)NCc1cccc(Cl)c1F
InChIInChI=1S/C23H21BrClFN4O3.C13H15ClFNO.C11H9BrN2O3.CH4/c24-14-4-7-19-16(8-14)17(23(27)33)10-29(19)12-21(32)30(15-5-6-15)11-20(31)28-9-13-2-1-3-18(25)22(13)26;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;12-6-1-2-9-7(3-6)8(11(13)17)4-14(9)5-10(15)16;/h1-4,7-8,10,15H,5-6,9,11-12H2,(H2,27,33)(H,28,31);1-3,9H,4-8H2,(H,16,17);1-4H,5H2,(H2,13,17)(H,15,16);1H4
InChIKeyHLUUDGISRADQHO-UHFFFAOYSA-N
XLogP9.11
TPSA211.85 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001104.67
LogP ≤ 59.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane with MolForge

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Related Compounds

6-bromo-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-fluoroindole-3-carboxamide
CID 68284226
2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 130299988
5-Bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide
CID 130299837
(2S,4R)-1-(2-(3-Acetyl-5-bromo-1H-indol-1-yl)acetyl)-N-(3-chloro-2-fluorobenzyl)-4-fluoropyrrolidine-2-carboxamide
CID 118322923
1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 123320459
6-bromo-1-[2-[(2S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-fluoroindole-3-carboxamide
CID 130322817
2-[2-(3-acetyl-5-bromoindol-1-yl)ethyl-propan-2-ylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide
CID 130324726
2-(5-bromo-3-formylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 130324901
5-Bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide
CID 155644306
2-(3-acetyl-6-aminoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-6-yl]carbamate;2,2,2-trifluoroacetic acid
CID 159412625
dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde
CID 161053223
2-[5-bromo-3-[2-(methylideneamino)acetyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 161155487

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane?
The IUPAC name of 2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane (CID 158517535) is 2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane.
What is the SMILES notation for 2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane?
The canonical SMILES for 2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane is C.NC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Br)cc12.NC(=O)c1cn(CC(=O)O)c2ccc(Br)cc12.O=C(CCC1CC1)NCc1cccc(Cl)c1F.
What is the InChIKey of 2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane?
The InChIKey is HLUUDGISRADQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrClFN4O3.C13H15ClFNO.C11H9BrN2O3.CH4/c24-14-4-7-19-16(8-14)17(23(27)33)10-29(19)12-21(32)30(15-5-6-15)11-20(31)28-9-13-2-1-3-18(25)22(13)26;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;12-6-1-2-9-7(3-6)8(11(13)17)4-14(9)5-10(15)16;/h1-4,7-8,10,15H,5-6,9,11-12H2,(H2,27,33)(H,28,31);1-3,9H,4-8H2,(H,16,17);1-4H,5H2,(H2,13,17)(H,15,16);1H4.
What are the key properties of 2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane?
2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane has a molecular weight of 1104.67 g/mol, XLogP of 9.11, 16 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane is sourced from PubChem (CID 158517535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).