N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide

C19H18N2O2 — CID 59929836

IUPACN-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
SMILESCC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-13(22)18(21-19(23)14-7-3-2-4-8-14)11-15-12-20-17-10-6-5-9-16(15)17/h2-10,12,18,20H,11H2,1H3,(H,21,23)
InChIKeyREWQYHNLEFYYDW-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.10
Rot. Bonds5

About N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide

N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide (PubChem CID 59929836) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
PubChem CID59929836
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
SMILESCC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-13(22)18(21-19(23)14-7-3-2-4-8-14)11-15-12-20-17-10-6-5-9-16(15)17/h2-10,12,18,20H,11H2,1H3,(H,21,23)
InChIKeyREWQYHNLEFYYDW-UHFFFAOYSA-N
XLogP3.10
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
(2R)-2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 7303855
methyl (2S)-3-(1H-indol-3-yl)-2-[(4-phenylbenzoyl)amino]propanoate
CID 7036310
methyl N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]carbamate
CID 76748095
methyl 2-[(4-aminobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 22418639
N-[(2S)-1-[cyano(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 87849413
(2S)-2-[[3-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]carbamoyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6999230
2-amino-N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]-3-methylbutanamide
CID 172572084
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]formamide
CID 123425108
(2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate
CID 19003113
N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 7596511
N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide
CID 582713

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide (CID 59929836) is N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide is CC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide?
The InChIKey is REWQYHNLEFYYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(22)18(21-19(23)14-7-3-2-4-8-14)11-15-12-20-17-10-6-5-9-16(15)17/h2-10,12,18,20H,11H2,1H3,(H,21,23).
What are the key properties of N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide?
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide has a molecular weight of 306.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide is sourced from PubChem (CID 59929836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).