N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide

C17H15ClN2O2 — CID 29202307

IUPACN-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C17H15ClN2O2/c1-20-10-13(12-5-3-4-6-15(12)20)17(21)19-14-9-11(18)7-8-16(14)22-2/h3-10H,1-2H3,(H,19,21)
InChIKeyXAIXVIKVWQONTQ-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.09
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide (PubChem CID 29202307) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
PubChem CID29202307
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C17H15ClN2O2/c1-20-10-13(12-5-3-4-6-15(12)20)17(21)19-14-9-11(18)7-8-16(14)22-2/h3-10H,1-2H3,(H,19,21)
InChIKeyXAIXVIKVWQONTQ-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-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
N-(5-chloro-2-methoxyphenyl)-1-methylindole-4-carboxamide
CID 112520804
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 8816537
N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204438
N-(5-chloro-2-methoxyphenyl)-3-hydroxynaphthalene-1-carboxamide
CID 18757585
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide
CID 46530558
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498
N-(5-chloro-2-methoxyphenyl)-2-(2,4-difluorophenyl)-1-oxoisoquinoline-4-carboxamide
CID 4623063
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CID 110762736

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide (CID 29202307) is N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide?
The InChIKey is XAIXVIKVWQONTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-20-10-13(12-5-3-4-6-15(12)20)17(21)19-14-9-11(18)7-8-16(14)22-2/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-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-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide is sourced from PubChem (CID 29202307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).