N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide

C19H19N3O2 — CID 46550602

IUPACN-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)cc1C
InChIInChI=1S/C19H19N3O2/c1-11-4-6-17-14(8-11)10-18(22-17)19(24)21-15-5-7-16(12(2)9-15)20-13(3)23/h4-10,22H,1-3H3,(H,20,23)(H,21,24)
InChIKeyBSPGRJJGPRVRSR-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.00
Rot. Bonds3

About N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide

N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide (PubChem CID 46550602) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
PubChem CID46550602
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)cc1C
InChIInChI=1S/C19H19N3O2/c1-11-4-6-17-14(8-11)10-18(22-17)19(24)21-15-5-7-16(12(2)9-15)20-13(3)23/h4-10,22H,1-3H3,(H,20,23)(H,21,24)
InChIKeyBSPGRJJGPRVRSR-UHFFFAOYSA-N
XLogP4.00
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 113207145
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971
N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide
CID 144812274
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide
CID 4587719
N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
CID 55556002
5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide
CID 134285576
N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide
CID 87019067
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207178
N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207179

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide (CID 46550602) is N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide?
The InChIKey is BSPGRJJGPRVRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11-4-6-17-14(8-11)10-18(22-17)19(24)21-15-5-7-16(12(2)9-15)20-13(3)23/h4-10,22H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide?
N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 46550602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).