N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide

C15H11ClF2N2O2 — CID 2986647

IUPACN-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11ClF2N2O2/c16-10-3-1-9(2-4-10)8-19-14(21)15(22)20-13-6-5-11(17)7-12(13)18/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyWKROZTZHGUIKAK-UHFFFAOYSA-N
MW324.71 g/mol
LogP2.87
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide

N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide (PubChem CID 2986647) has the molecular formula C15H11ClF2N2O2 and a molecular weight of 324.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide
PubChem CID2986647
Molecular FormulaC15H11ClF2N2O2
Molecular Weight324.71 g/mol
Exact Mass324.05
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11ClF2N2O2/c16-10-3-1-9(2-4-10)8-19-14(21)15(22)20-13-6-5-11(17)7-12(13)18/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyWKROZTZHGUIKAK-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide 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-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide
CID 86996766
N'-(5-chloro-2-hydroxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 108519764
2-[(4-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)acetamide
CID 4555124
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide
CID 2272581
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999501
1-[(4-bromophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 60969569
N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
CID 86995752
4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
CID 18195856
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide
CID 95599619

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide (CID 2986647) is N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide?
The InChIKey is WKROZTZHGUIKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2/c16-10-3-1-9(2-4-10)8-19-14(21)15(22)20-13-6-5-11(17)7-12(13)18/h1-7H,8H2,(H,19,21)(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide?
N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide has a molecular weight of 324.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide is sourced from PubChem (CID 2986647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).