2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide

C12H10ClFN2O — CID 63821612

IUPAC2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide
SMILESN#CC(NC(=O)c1ccc(F)cc1Cl)C1CC1
InChIInChI=1S/C12H10ClFN2O/c13-10-5-8(14)3-4-9(10)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2H2,(H,16,17)
InChIKeyWCCLVKDAOFADCX-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.51
Rot. Bonds3

About 2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide

2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide (PubChem CID 63821612) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide
PubChem CID63821612
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide
SMILESN#CC(NC(=O)c1ccc(F)cc1Cl)C1CC1
InChIInChI=1S/C12H10ClFN2O/c13-10-5-8(14)3-4-9(10)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2H2,(H,16,17)
InChIKeyWCCLVKDAOFADCX-UHFFFAOYSA-N
XLogP2.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide 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

4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
CID 61123792
4-bromo-N-[cyano(cyclopropyl)methyl]-2-fluorobenzamide
CID 63823444
2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide
CID 86796965
5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide
CID 113233627
N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
CID 63821791
4-chloro-N-[cyano(cyclopropyl)methyl]-3-methylbenzamide
CID 112699237
2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide
CID 63822496
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
CID 64997029
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide
CID 103513774
2-chloro-N-[(1S)-1-cyanoethyl]-5-fluorobenzamide
CID 126769274
2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide
CID 106852140

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide (CID 63821612) is 2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide is N#CC(NC(=O)c1ccc(F)cc1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide?
The InChIKey is WCCLVKDAOFADCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-10-5-8(14)3-4-9(10)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 2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide?
2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide has a molecular weight of 252.68 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 63821612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).