N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide

C17H15ClN2O2 — CID 112521520

IUPACN-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3ccn(C)c3c2)cc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-20-8-7-11-3-4-12(9-15(11)20)17(21)19-13-5-6-16(22-2)14(18)10-13/h3-10H,1-2H3,(H,19,21)
InChIKeyAWRYBUHNYKIOFN-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.09
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide (PubChem CID 112521520) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide
PubChem CID112521520
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3ccn(C)c3c2)cc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-20-8-7-11-3-4-12(9-15(11)20)17(21)19-13-5-6-16(22-2)14(18)10-13/h3-10H,1-2H3,(H,19,21)
InChIKeyAWRYBUHNYKIOFN-UHFFFAOYSA-N
XLogP4.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
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4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
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N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
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3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7934883
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide (CID 112521520) is N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide is COc1ccc(NC(=O)c2ccc3ccn(C)c3c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide?
The InChIKey is AWRYBUHNYKIOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-20-8-7-11-3-4-12(9-15(11)20)17(21)19-13-5-6-16(22-2)14(18)10-13/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide is sourced from PubChem (CID 112521520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).