7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide

C16H12Cl2N2O2 — CID 108791613

IUPAC7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)cc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c1-22-14-6-5-10(8-12(14)18)19-16(21)13-7-9-3-2-4-11(17)15(9)20-13/h2-8,20H,1H3,(H,19,21)
InChIKeyAJUKKDVDFJYTAG-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.74
Rot. Bonds3

About 7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide

7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide (PubChem CID 108791613) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide
PubChem CID108791613
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)cc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c1-22-14-6-5-10(8-12(14)18)19-16(21)13-7-9-3-2-4-11(17)15(9)20-13/h2-8,20H,1H3,(H,19,21)
InChIKeyAJUKKDVDFJYTAG-UHFFFAOYSA-N
XLogP4.74
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925522
7-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1H-indole-2-carboxamide
CID 108791790
7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
CID 108791741
N-(4-bromophenyl)-7-chloro-1H-indole-2-carboxamide
CID 108791596
7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide
CID 108791753
7-methoxy-N-phenyl-1H-indole-2-carboxamide
CID 110856487
6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558305
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
CID 108791658
7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide
CID 108791740
N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521484
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016
7-amino-N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 62057891

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide (CID 108791613) is 7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide is COc1ccc(NC(=O)c2cc3cccc(Cl)c3[nH]2)cc1Cl.
What is the InChIKey of 7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is AJUKKDVDFJYTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-22-14-6-5-10(8-12(14)18)19-16(21)13-7-9-3-2-4-11(17)15(9)20-13/h2-8,20H,1H3,(H,19,21).
What are the key properties of 7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide?
7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 335.19 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 108791613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).