N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide

C14H14N2O2 — CID 134999989

IUPACN-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide
SMILESN#C[C@@H](CC(=O)NC(=O)c1ccccc1)C1CC1
InChIInChI=1S/C14H14N2O2/c15-9-12(10-6-7-10)8-13(17)16-14(18)11-4-2-1-3-5-11/h1-5,10,12H,6-8H2,(H,16,17,18)/t12-/m1/s1
InChIKeyQZXMRUVDPDXZRL-GFCCVEGCSA-N
MW242.28 g/mol
LogP1.88
Rot. Bonds4

About N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide

N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide (PubChem CID 134999989) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide.

Molecular Properties

Compound NameN-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide
PubChem CID134999989
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide
SMILESN#C[C@@H](CC(=O)NC(=O)c1ccccc1)C1CC1
InChIInChI=1S/C14H14N2O2/c15-9-12(10-6-7-10)8-13(17)16-14(18)11-4-2-1-3-5-11/h1-5,10,12H,6-8H2,(H,16,17,18)/t12-/m1/s1
InChIKeyQZXMRUVDPDXZRL-GFCCVEGCSA-N
XLogP1.88
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-3-cyano-3-cyclopropylpropanoyl]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

N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318
N-(3,3-diphenylpropanoyl)benzamide
CID 101440172
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide
CID 102574380
3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid
CID 81368878
N-carbonocyanidoylbenzamide
CID 121227366
methyl 3-benzamido-3-oxopropanoate
CID 11345054
2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 119213741
N-[(2S)-2-cyano-3-oxobutanethioyl]benzamide
CID 95914119
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide
CID 63596753
(3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide
CID 68501652

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide?
The IUPAC name of N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide (CID 134999989) is N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide.
What is the SMILES notation for N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide?
The canonical SMILES for N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide is N#C[C@@H](CC(=O)NC(=O)c1ccccc1)C1CC1.
What is the InChIKey of N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide?
The InChIKey is QZXMRUVDPDXZRL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-9-12(10-6-7-10)8-13(17)16-14(18)11-4-2-1-3-5-11/h1-5,10,12H,6-8H2,(H,16,17,18)/t12-/m1/s1.
What are the key properties of N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide?
N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide is sourced from PubChem (CID 134999989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).