N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide

C18H17ClN2O4 — CID 108514881

IUPACN-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H17ClN2O4/c1-10-8-15(16(25-3)9-14(10)19)21-18(24)17(23)20-13-6-4-12(5-7-13)11(2)22/h4-9H,1-3H3,(H,20,23)(H,21,24)
InChIKeyNVQDJZMJZBMXLU-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.44
Rot. Bonds4

About N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide

N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide (PubChem CID 108514881) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
PubChem CID108514881
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC NameN-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H17ClN2O4/c1-10-8-15(16(25-3)9-14(10)19)21-18(24)17(23)20-13-6-4-12(5-7-13)11(2)22/h4-9H,1-3H3,(H,20,23)(H,21,24)
InChIKeyNVQDJZMJZBMXLU-UHFFFAOYSA-N
XLogP3.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108513231
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 7940785
4-(4-chloro-2-methoxy-5-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991531
N-(4-bromo-2-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532468
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide
CID 108501670
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide (CID 108514881) is N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide is COc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide?
The InChIKey is NVQDJZMJZBMXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-10-8-15(16(25-3)9-14(10)19)21-18(24)17(23)20-13-6-4-12(5-7-13)11(2)22/h4-9H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide?
N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide has a molecular weight of 360.80 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 108514881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).