N-[cyano(cyclopropyl)methyl]benzamide

C12H12N2O — CID 54594318

IUPACN-[cyano(cyclopropyl)methyl]benzamide
SMILESN#CC(NC(=O)c1ccccc1)C1CC1
InChIInChI=1S/C12H12N2O/c13-8-11(9-6-7-9)14-12(15)10-4-2-1-3-5-10/h1-5,9,11H,6-7H2,(H,14,15)
InChIKeyHRRFWVYCMGWODL-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.72
Rot. Bonds3

About N-[cyano(cyclopropyl)methyl]benzamide

N-[cyano(cyclopropyl)methyl]benzamide (PubChem CID 54594318) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]benzamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]benzamide
PubChem CID54594318
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-[cyano(cyclopropyl)methyl]benzamide
SMILESN#CC(NC(=O)c1ccccc1)C1CC1
InChIInChI=1S/C12H12N2O/c13-8-11(9-6-7-9)14-12(15)10-4-2-1-3-5-10/h1-5,9,11H,6-7H2,(H,14,15)
InChIKeyHRRFWVYCMGWODL-UHFFFAOYSA-N
XLogP1.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide
CID 63820678
N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 63822315
N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 63821420
N-[cyano(cyclopropyl)methyl]-3-methylsulfonylbenzamide
CID 63822853
N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
CID 63821791
N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide
CID 115618789
3-chloro-N-[cyano(cyclohexyl)methyl]benzamide
CID 61119808
6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide
CID 115283322
4-chloro-N-[cyano(cyclopropyl)methyl]-3-methylbenzamide
CID 112699237
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
methyl 2-[2-[[(R)-cyano(cyclopropyl)methyl]carbamoyl]phenyl]benzoate
CID 99842512
2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide
CID 106852140

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclopropyl)methyl]benzamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]benzamide (CID 54594318) is N-[cyano(cyclopropyl)methyl]benzamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]benzamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]benzamide is N#CC(NC(=O)c1ccccc1)C1CC1.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]benzamide?
The InChIKey is HRRFWVYCMGWODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-8-11(9-6-7-9)14-12(15)10-4-2-1-3-5-10/h1-5,9,11H,6-7H2,(H,14,15).
What are the key properties of N-[cyano(cyclopropyl)methyl]benzamide?
N-[cyano(cyclopropyl)methyl]benzamide has a molecular weight of 200.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclopropyl)methyl]benzamide is sourced from PubChem (CID 54594318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).