N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide

C15H13F2NO — CID 110781029

IUPACN-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO/c16-13-7-6-12(8-14(13)17)10-18-15(19)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyIWCVDBWHIIOMOB-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.82
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide

N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide (PubChem CID 110781029) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
PubChem CID110781029
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO/c16-13-7-6-12(8-14(13)17)10-18-15(19)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyIWCVDBWHIIOMOB-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,4-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-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide
CID 107025914
N-[(3,4-difluorophenyl)methyl]-2-isocyanoacetamide
CID 59099086
N-[(3,4-difluorophenyl)methyl]-3-methylbutanamide
CID 110781014
2-(4-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 47292141
2-(3-fluoro-4-phenylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 58190266
2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42852618
N-benzyl-2-[4-[(4-fluorophenyl)methylamino]phenyl]acetamide
CID 46045383

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide (CID 110781029) is N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide?
The InChIKey is IWCVDBWHIIOMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c16-13-7-6-12(8-14(13)17)10-18-15(19)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide?
N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide has a molecular weight of 261.27 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 110781029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).