2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide

C15H12ClF2NO — CID 63795872

IUPAC2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide
SMILESO=C(NCc1cc(F)ccc1F)C(Cl)c1ccccc1
InChIInChI=1S/C15H12ClF2NO/c16-14(10-4-2-1-3-5-10)15(20)19-9-11-8-12(17)6-7-13(11)18/h1-8,14H,9H2,(H,19,20)
InChIKeyRXWNLPJXDQHTDO-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.56
Rot. Bonds4

About 2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide

2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide (PubChem CID 63795872) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide
PubChem CID63795872
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide
SMILESO=C(NCc1cc(F)ccc1F)C(Cl)c1ccccc1
InChIInChI=1S/C15H12ClF2NO/c16-14(10-4-2-1-3-5-10)15(20)19-9-11-8-12(17)6-7-13(11)18/h1-8,14H,9H2,(H,19,20)
InChIKeyRXWNLPJXDQHTDO-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(2,5-difluorophenyl)methyl]-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

N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
CID 61298690
2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide
CID 110274492
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111455268
4-amino-N-[(2,5-difluorophenyl)methyl]-2-methylbutanamide
CID 80545149
2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine
CID 65025752
1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458080
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 111545893
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
N-[(2,5-difluorophenyl)methyl]-3,3-dimethylbutanamide
CID 110780967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide (CID 63795872) is 2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide is O=C(NCc1cc(F)ccc1F)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide?
The InChIKey is RXWNLPJXDQHTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c16-14(10-4-2-1-3-5-10)15(20)19-9-11-8-12(17)6-7-13(11)18/h1-8,14H,9H2,(H,19,20).
What are the key properties of 2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide?
2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide has a molecular weight of 295.72 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 63795872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).