2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide

C22H22Cl2N2O3 — CID 69487991

IUPAC2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc2c(c1Cl)c(CC(=O)NC(C)C)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl2N2O3/c1-12(2)25-19(27)11-16-13(3)26(22(28)14-5-7-15(23)8-6-14)17-9-10-18(29-4)21(24)20(16)17/h5-10,12H,11H2,1-4H3,(H,25,27)
InChIKeyLTFIFNRJHHHFBO-UHFFFAOYSA-N
MW433.34 g/mol
LogP5.02
Rot. Bonds5

About 2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide

2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide (PubChem CID 69487991) has the molecular formula C22H22Cl2N2O3 and a molecular weight of 433.34 g/mol. Its IUPAC name is 2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
PubChem CID69487991
Molecular FormulaC22H22Cl2N2O3
Molecular Weight433.34 g/mol
Exact Mass432.10
IUPAC Name2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc2c(c1Cl)c(CC(=O)NC(C)C)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl2N2O3/c1-12(2)25-19(27)11-16-13(3)26(22(28)14-5-7-15(23)8-6-14)17-9-10-18(29-4)21(24)20(16)17/h5-10,12H,11H2,1-4H3,(H,25,27)
InChIKeyLTFIFNRJHHHFBO-UHFFFAOYSA-N
XLogP5.02
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.34
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69487790
(2S)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]propanamide;ethane
CID 143546057
3-[[2-[4-chloro-1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid
CID 69488235
2-[[2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]propanoic acid
CID 69485462
N-butan-2-yl-2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 69486050
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 24825528
2-[[2-[4-chloro-1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-2-methylpropanoic acid
CID 69485847
methyl 2-[4-amino-1-(4-chlorobenzoyl)-5-(1-hydroxyethyl)-2-methylindol-3-yl]acetate
CID 89057194
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 6916018
2-[1-(3-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69485684
2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 67244336

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide (CID 69487991) is 2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide is COc1ccc2c(c1Cl)c(CC(=O)NC(C)C)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide?
The InChIKey is LTFIFNRJHHHFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O3/c1-12(2)25-19(27)11-16-13(3)26(22(28)14-5-7-15(23)8-6-14)17-9-10-18(29-4)21(24)20(16)17/h5-10,12H,11H2,1-4H3,(H,25,27).
What are the key properties of 2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide?
2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide has a molecular weight of 433.34 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 69487991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).