N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide

C12H10F2N2O — CID 63821791

IUPACN-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
SMILESN#CC(NC(=O)c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C12H10F2N2O/c13-9-4-3-8(5-10(9)14)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2H2,(H,16,17)
InChIKeyOVBYLKVWQOCEFJ-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.00
Rot. Bonds3

About N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide

N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide (PubChem CID 63821791) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
PubChem CID63821791
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC NameN-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
SMILESN#CC(NC(=O)c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C12H10F2N2O/c13-9-4-3-8(5-10(9)14)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2H2,(H,16,17)
InChIKeyOVBYLKVWQOCEFJ-UHFFFAOYSA-N
XLogP2.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide
CID 115283322
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318
4-chloro-N-[cyano(cyclopropyl)methyl]-3-methylbenzamide
CID 112699237
N-(1-cyanoethyl)-3,4-difluorobenzamide
CID 61119063
N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 63822315
N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide
CID 63820678
N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide
CID 115618789
4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide
CID 63823444
3-chloro-N-[cyano(cyclohexyl)methyl]benzamide
CID 61119808
N-[cyano(cyclopropyl)methyl]-3-methylsulfonylbenzamide
CID 63822853
4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
CID 61123792
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,4-difluorobenzamide
CID 77038955

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide (CID 63821791) is N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide is N#CC(NC(=O)c1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide?
The InChIKey is OVBYLKVWQOCEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-9-4-3-8(5-10(9)14)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2H2,(H,16,17).
What are the key properties of N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide?
N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide has a molecular weight of 236.22 g/mol, XLogP of 2.00, 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]-3,4-difluorobenzamide is sourced from PubChem (CID 63821791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).