N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide

C15H12ClFN2O2 — CID 2272581

IUPACN-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H12ClFN2O2/c16-11-6-4-10(5-7-11)9-18-14(20)15(21)19-13-3-1-2-12(17)8-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyWDIKZTMTDYGWOD-UHFFFAOYSA-N
MW306.72 g/mol
LogP2.73
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide

N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide (PubChem CID 2272581) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide
PubChem CID2272581
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H12ClFN2O2/c16-11-6-4-10(5-7-11)9-18-14(20)15(21)19-13-3-1-2-12(17)8-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyWDIKZTMTDYGWOD-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 7292818
N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7584730
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide
CID 108962863
N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide
CID 2986647
N-[(4-chlorophenyl)methyl]-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9433477
N'-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2184173
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-fluorophenyl)oxamide
CID 3136649
2-(4-chlorophenyl)-N-(3-fluorophenyl)-2-oxoacetamide
CID 94286978
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 108516187
4-[(4-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109211927

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide (CID 2272581) is N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide?
The InChIKey is WDIKZTMTDYGWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c16-11-6-4-10(5-7-11)9-18-14(20)15(21)19-13-3-1-2-12(17)8-13/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide?
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide has a molecular weight of 306.72 g/mol, XLogP of 2.73, 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'-(3-fluorophenyl)oxamide is sourced from PubChem (CID 2272581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).