N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide

C18H16ClN3O2 — CID 110861279

IUPACN-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2c(C)[nH]c3cccc(Cl)c23)c1
InChIInChI=1S/C18H16ClN3O2/c1-10-16(17-14(19)7-4-8-15(17)20-10)18(24)22-13-6-3-5-12(9-13)21-11(2)23/h3-9,20H,1-2H3,(H,21,23)(H,22,24)
InChIKeyZMKFHMKCNZTMSZ-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.34
Rot. Bonds3

About N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide

N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide (PubChem CID 110861279) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide
PubChem CID110861279
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2c(C)[nH]c3cccc(Cl)c23)c1
InChIInChI=1S/C18H16ClN3O2/c1-10-16(17-14(19)7-4-8-15(17)20-10)18(24)22-13-6-3-5-12(9-13)21-11(2)23/h3-9,20H,1-2H3,(H,21,23)(H,22,24)
InChIKeyZMKFHMKCNZTMSZ-UHFFFAOYSA-N
XLogP4.34
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2,4-dimethyl-1H-indole-3-carboxamide
CID 110861432
N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31301489
N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide
CID 110864766
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-(3-acetamidophenyl)-2,6-dihydroxybenzamide
CID 103748896
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-1H-indole-3-carboxamide
CID 26720242
4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide
CID 110855128
N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292628
N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110863160
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110863302
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204770
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide (CID 110861279) is N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2c(C)[nH]c3cccc(Cl)c23)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide?
The InChIKey is ZMKFHMKCNZTMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-10-16(17-14(19)7-4-8-15(17)20-10)18(24)22-13-6-3-5-12(9-13)21-11(2)23/h3-9,20H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide?
N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110861279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).