N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide

C15H10ClFN2O — CID 62877359

IUPACN-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide
SMILESN#CC(C(=O)Nc1cccc(Cl)c1F)c1ccccc1
InChIInChI=1S/C15H10ClFN2O/c16-12-7-4-8-13(14(12)17)19-15(20)11(9-18)10-5-2-1-3-6-10/h1-8,11H,(H,19,20)
InChIKeyGGRVKYHFCCWFFN-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.72
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide

N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide (PubChem CID 62877359) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide
PubChem CID62877359
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC NameN-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide
SMILESN#CC(C(=O)Nc1cccc(Cl)c1F)c1ccccc1
InChIInChI=1S/C15H10ClFN2O/c16-12-7-4-8-13(14(12)17)19-15(20)11(9-18)10-5-2-1-3-6-10/h1-8,11H,(H,19,20)
InChIKeyGGRVKYHFCCWFFN-UHFFFAOYSA-N
XLogP3.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide 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

2-amino-N-(3-chloro-2-fluorophenyl)-2-phenylacetamide
CID 43123024
2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide
CID 62876848
3-amino-N-(3-chloro-2-fluorophenyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62878073
N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide
CID 62907733
N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide
CID 107625909
2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 62878418
(3-chloro-2-fluorophenyl)urea
CID 28969166
3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile
CID 64537008
2-cyano-N-(3-ethynylphenyl)-2-phenylacetamide
CID 62877869
1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea
CID 47198534
2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide
CID 107588694
2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide (CID 62877359) is N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide is N#CC(C(=O)Nc1cccc(Cl)c1F)c1ccccc1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide?
The InChIKey is GGRVKYHFCCWFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-12-7-4-8-13(14(12)17)19-15(20)11(9-18)10-5-2-1-3-6-10/h1-8,11H,(H,19,20).
What are the key properties of N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide?
N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide has a molecular weight of 288.71 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide is sourced from PubChem (CID 62877359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).