N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide

C21H18ClN3O2 — CID 108507997

IUPACN-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
SMILESNc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C21H18ClN3O2/c22-17-13-16(11-12-18(17)23)24-20(26)21(27)25-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,23H2,(H,24,26)(H,25,27)
InChIKeyFCJHADAZBUOYML-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.77
Rot. Bonds4

About N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide

N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide (PubChem CID 108507997) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
PubChem CID108507997
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
SMILESNc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C21H18ClN3O2/c22-17-13-16(11-12-18(17)23)24-20(26)21(27)25-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,23H2,(H,24,26)(H,25,27)
InChIKeyFCJHADAZBUOYML-UHFFFAOYSA-N
XLogP3.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.77
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

N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108507995
N'-benzhydryl-N-(4-hydroxyphenyl)oxamide
CID 108501977
N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515097
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
N'-(4-amino-3-chlorophenyl)-N-(3-bromophenyl)oxamide
CID 108516155
N'-(4-amino-3-chlorophenyl)-N-(3-fluorophenyl)oxamide
CID 108516241
N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide
CID 108508123
N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108516205
N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide
CID 108514915
N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide
CID 108507971
N-(4-amino-3-chlorophenyl)-N'-(2,4-dichlorophenyl)oxamide
CID 108502772
N'-(4-amino-3-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 108515975

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide (CID 108507997) is N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide is Nc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1Cl.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide?
The InChIKey is FCJHADAZBUOYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c22-17-13-16(11-12-18(17)23)24-20(26)21(27)25-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,23H2,(H,24,26)(H,25,27).
What are the key properties of N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide?
N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide has a molecular weight of 379.85 g/mol, XLogP of 3.77, 4 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'-benzhydryloxamide is sourced from PubChem (CID 108507997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).