N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide

C15H12ClN3O4 — CID 108519760

IUPACN'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide
SMILESNc1ccc(C(=O)NC(=O)C(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H12ClN3O4/c16-9-3-6-12(20)11(7-9)18-14(22)15(23)19-13(21)8-1-4-10(17)5-2-8/h1-7,20H,17H2,(H,18,22)(H,19,21,23)
InChIKeyICSLBIMJWRKPTE-UHFFFAOYSA-N
MW333.73 g/mol
LogP1.52
Rot. Bonds2

About N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide

N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide (PubChem CID 108519760) has the molecular formula C15H12ClN3O4 and a molecular weight of 333.73 g/mol. Its IUPAC name is N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide
PubChem CID108519760
Molecular FormulaC15H12ClN3O4
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC NameN'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide
SMILESNc1ccc(C(=O)NC(=O)C(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H12ClN3O4/c16-9-3-6-12(20)11(7-9)18-14(22)15(23)19-13(21)8-1-4-10(17)5-2-8/h1-7,20H,17H2,(H,18,22)(H,19,21,23)
InChIKeyICSLBIMJWRKPTE-UHFFFAOYSA-N
XLogP1.52
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-hydroxyphenyl)-N-(4-chlorophenyl)oxamide
CID 108516598
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
(4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate
CID 10468799
N-(4-amino-3-chlorophenyl)-N'-(5-chloro-2-hydroxyphenyl)oxamide
CID 108515977
N-(4-amino-2-hydroxyphenyl)-4-chlorobenzamide
CID 3264738
N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide
CID 58895575
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099861
N'-(5-chloro-2-hydroxyphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508697
4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide
CID 134359397
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
N-(5-chloro-2-hydroxyphenyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519080
N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide
CID 108504969

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide?
The IUPAC name of N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide (CID 108519760) is N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide.
What is the SMILES notation for N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide?
The canonical SMILES for N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide is Nc1ccc(C(=O)NC(=O)C(=O)Nc2cc(Cl)ccc2O)cc1.
What is the InChIKey of N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide?
The InChIKey is ICSLBIMJWRKPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4/c16-9-3-6-12(20)11(7-9)18-14(22)15(23)19-13(21)8-1-4-10(17)5-2-8/h1-7,20H,17H2,(H,18,22)(H,19,21,23).
What are the key properties of N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide?
N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide has a molecular weight of 333.73 g/mol, XLogP of 1.52, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide is sourced from PubChem (CID 108519760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).