N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide

C16H13ClN4O5 — CID 108512765

IUPACN'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(N)c1
InChIInChI=1S/C16H13ClN4O5/c1-9(22)20(12-4-2-3-10(18)7-12)16(24)15(23)19-11-5-6-13(17)14(8-11)21(25)26/h2-8H,18H2,1H3,(H,19,23)
InChIKeySCKFHYHDHFHACR-UHFFFAOYSA-N
MW376.76 g/mol
LogP2.35
Rot. Bonds3

About N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide

N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide (PubChem CID 108512765) has the molecular formula C16H13ClN4O5 and a molecular weight of 376.76 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
PubChem CID108512765
Molecular FormulaC16H13ClN4O5
Molecular Weight376.76 g/mol
Exact Mass376.06
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(N)c1
InChIInChI=1S/C16H13ClN4O5/c1-9(22)20(12-4-2-3-10(18)7-12)16(24)15(23)19-11-5-6-13(17)14(8-11)21(25)26/h2-8H,18H2,1H3,(H,19,23)
InChIKeySCKFHYHDHFHACR-UHFFFAOYSA-N
XLogP2.35
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.76
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide
CID 108526505
N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108526521
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N-(4-chloro-3-nitrophenyl)-N'-(2,3-dichlorophenyl)oxamide
CID 108500702
4-(4-chloro-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991515
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide
CID 108512717
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N'-benzyl-N-(4-chloro-3-nitrophenyl)-N'-ethyloxamide
CID 108512739
N'-butyl-N-(4-chloro-3-nitrophenyl)-N'-propyloxamide
CID 108512726

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide (CID 108512765) is N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide is CC(=O)N(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide?
The InChIKey is SCKFHYHDHFHACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O5/c1-9(22)20(12-4-2-3-10(18)7-12)16(24)15(23)19-11-5-6-13(17)14(8-11)21(25)26/h2-8H,18H2,1H3,(H,19,23).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide?
N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide has a molecular weight of 376.76 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide is sourced from PubChem (CID 108512765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).