N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide

C21H18ClN3O2 — CID 108516125

IUPACN-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide
SMILESNc1ccc(NC(=O)C(=O)N(Cc2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C21H18ClN3O2/c22-18-13-16(11-12-19(18)23)24-20(26)21(27)25(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13H,14,23H2,(H,24,26)
InChIKeyUSALPXXOYRUQRZ-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.09
Rot. Bonds4

About N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide

N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide (PubChem CID 108516125) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide
PubChem CID108516125
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide
SMILESNc1ccc(NC(=O)C(=O)N(Cc2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C21H18ClN3O2/c22-18-13-16(11-12-19(18)23)24-20(26)21(27)25(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13H,14,23H2,(H,24,26)
InChIKeyUSALPXXOYRUQRZ-UHFFFAOYSA-N
XLogP4.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.09
H-Bond Donors ≤ 52
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

N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide
CID 108516639
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide
CID 108528257
N'-benzyl-N-(3-cyanophenyl)-N'-phenyloxamide
CID 108987656
N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
CID 108520821
N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
CID 108507997
N-(4-amino-3-chlorophenyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108516095
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457
N'-(4-amino-3-chlorophenyl)-N-(3-fluorophenyl)oxamide
CID 108516241
N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108516466
N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515097
(Z)-N-(4-amino-3-chlorophenyl)-3-(4-benzylpiperazin-1-yl)-2-cyanoprop-2-enamide
CID 108859450

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide (CID 108516125) is N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide is Nc1ccc(NC(=O)C(=O)N(Cc2ccccc2)c2ccccc2)cc1Cl.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide?
The InChIKey is USALPXXOYRUQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c22-18-13-16(11-12-19(18)23)24-20(26)21(27)25(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13H,14,23H2,(H,24,26).
What are the key properties of N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide?
N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide has a molecular weight of 379.85 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)-N'-benzyl-N'-phenyloxamide is sourced from PubChem (CID 108516125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).