N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide

C16H14ClN3O3 — CID 108514915

IUPACN'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)Nc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C16H14ClN3O3/c1-9(21)10-3-2-4-11(7-10)19-15(22)16(23)20-12-5-6-14(18)13(17)8-12/h2-8H,18H2,1H3,(H,19,22)(H,20,23)
InChIKeyRJSBQCOLCAOZQT-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.70
Rot. Bonds3

About N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide

N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide (PubChem CID 108514915) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide
PubChem CID108514915
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC NameN'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)Nc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C16H14ClN3O3/c1-9(21)10-3-2-4-11(7-10)19-15(22)16(23)20-12-5-6-14(18)13(17)8-12/h2-8H,18H2,1H3,(H,19,22)(H,20,23)
InChIKeyRJSBQCOLCAOZQT-UHFFFAOYSA-N
XLogP2.70
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-(4-amino-3-chlorophenyl)-N-(3-bromophenyl)oxamide
CID 108516155
N'-(4-amino-3-chlorophenyl)-N-(3-fluorophenyl)oxamide
CID 108516241
N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108515059
N'-(4-amino-3-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 108515975
N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108516205
3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
CID 43604435
N'-(3-acetylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500714
N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
CID 108507997
(Z)-N-(4-acetylphenyl)-3-(4-amino-3-chloroanilino)-2-cyanoprop-2-enamide
CID 108856337
3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
CID 28867862
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
N-(4-amino-3-chlorophenyl)-N'-(2,4-dichlorophenyl)oxamide
CID 108502772

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide?
The IUPAC name of N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide (CID 108514915) is N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide is CC(=O)c1cccc(NC(=O)C(=O)Nc2ccc(N)c(Cl)c2)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide?
The InChIKey is RJSBQCOLCAOZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-9(21)10-3-2-4-11(7-10)19-15(22)16(23)20-12-5-6-14(18)13(17)8-12/h2-8H,18H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide?
N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide has a molecular weight of 331.76 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide is sourced from PubChem (CID 108514915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).