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

C21H18ClN3O2 — CID 108506114

IUPACN'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H18ClN3O2/c22-19-9-5-4-6-15(19)14-23-20(26)21(27)25-18-12-10-17(11-13-18)24-16-7-2-1-3-8-16/h1-13,24H,14H2,(H,23,26)(H,25,27)
InChIKeyWBIWTHZWCSRVDJ-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.34
Rot. Bonds5

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

N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide (PubChem CID 108506114) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide
PubChem CID108506114
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H18ClN3O2/c22-19-9-5-4-6-15(19)14-23-20(26)21(27)25-18-12-10-17(11-13-18)24-16-7-2-1-3-8-16/h1-13,24H,14H2,(H,23,26)(H,25,27)
InChIKeyWBIWTHZWCSRVDJ-UHFFFAOYSA-N
XLogP4.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 7585238
N-[(2-chlorophenyl)methyl]-N'-(3,5-dichlorophenyl)oxamide
CID 108506161
N-[(2-methylphenyl)methyl]-N'-phenyloxamide
CID 2174485
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 108506154
N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
CID 2266307
N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679209
N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295823
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
N-[2-(2-chlorophenyl)ethyl]-N'-(4-fluorophenyl)oxamide
CID 5046891
N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108525447
N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide
CID 89250743

Frequently Asked Questions

What is the IUPAC name of N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide?
The IUPAC name of N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide (CID 108506114) is N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide?
The canonical SMILES for N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide is O=C(NCc1ccccc1Cl)C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide?
The InChIKey is WBIWTHZWCSRVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c22-19-9-5-4-6-15(19)14-23-20(26)21(27)25-18-12-10-17(11-13-18)24-16-7-2-1-3-8-16/h1-13,24H,14H2,(H,23,26)(H,25,27).
What are the key properties of N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide?
N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide has a molecular weight of 379.85 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide is sourced from PubChem (CID 108506114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).