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

C15H13ClFN3O2 — CID 108516187

IUPACN'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESNc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H13ClFN3O2/c16-12-7-11(5-6-13(12)18)20-15(22)14(21)19-8-9-1-3-10(17)4-2-9/h1-7H,8,18H2,(H,19,21)(H,20,22)
InChIKeyWYCXQJVGDKPDCY-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.32
Rot. Bonds3

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

N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 108516187) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID108516187
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC NameN'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
SMILESNc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H13ClFN3O2/c16-12-7-11(5-6-13(12)18)20-15(22)14(21)19-8-9-1-3-10(17)4-2-9/h1-7H,8,18H2,(H,19,21)(H,20,22)
InChIKeyWYCXQJVGDKPDCY-UHFFFAOYSA-N
XLogP2.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867663
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108899226
N'-(4-amino-3-chlorophenyl)-N-(3-fluorophenyl)oxamide
CID 108516241
N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 7541440
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide
CID 2272581
N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide
CID 46199606
(Z)-3-(4-amino-3-chloroanilino)-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108839617
N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108516205
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N'-(5-chloro-2-hydroxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 108519764
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide (CID 108516187) is N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide is Nc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1Cl.
What is the InChIKey of N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is WYCXQJVGDKPDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c16-12-7-11(5-6-13(12)18)20-15(22)14(21)19-8-9-1-3-10(17)4-2-9/h1-7H,8,18H2,(H,19,21)(H,20,22).
What are the key properties of N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide?
N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 321.74 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 108516187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).