2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide

C15H14ClFN2O — CID 62538297

IUPAC2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
SMILESO=C(CNc1ccccc1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-13-8-11(6-7-14(13)17)9-19-15(20)10-18-12-4-2-1-3-5-12/h1-8,18H,9-10H2,(H,19,20)
InChIKeyDOBHBTSTIQBXKW-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.21
Rot. Bonds5

About 2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide

2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide (PubChem CID 62538297) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
PubChem CID62538297
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
SMILESO=C(CNc1ccccc1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-13-8-11(6-7-14(13)17)9-19-15(20)10-18-12-4-2-1-3-5-12/h1-8,18H,9-10H2,(H,19,20)
InChIKeyDOBHBTSTIQBXKW-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide 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-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417
N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
CID 61062398
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide
CID 62538120
2-anilino-N-[(4-bromophenyl)methyl]acetamide
CID 60862420
N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide
CID 115166258
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443
4-[(3-chloro-4-fluorophenyl)methylamino]benzoic acid
CID 62531732
3-[[(2-anilinoacetyl)amino]methyl]benzoic acid
CID 61161502
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29450858
4-[(3-chloro-4-fluorophenyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 62537418

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide (CID 62538297) is 2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide is O=C(CNc1ccccc1)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide?
The InChIKey is DOBHBTSTIQBXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-13-8-11(6-7-14(13)17)9-19-15(20)10-18-12-4-2-1-3-5-12/h1-8,18H,9-10H2,(H,19,20).
What are the key properties of 2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide?
2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide has a molecular weight of 292.74 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 62538297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).