N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide

C16H16ClN3O2 — CID 108516205

IUPACN-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)Nc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C16H16ClN3O2/c1-9-5-10(2)7-12(6-9)20-16(22)15(21)19-11-3-4-14(18)13(17)8-11/h3-8H,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFZWBLQYAXLJARE-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.12
Rot. Bonds2

About N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide

N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide (PubChem CID 108516205) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
PubChem CID108516205
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)Nc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C16H16ClN3O2/c1-9-5-10(2)7-12(6-9)20-16(22)15(21)19-11-3-4-14(18)13(17)8-11/h3-8H,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFZWBLQYAXLJARE-UHFFFAOYSA-N
XLogP3.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192
N-(4-amino-3-chlorophenyl)-N'-(2,4-dichlorophenyl)oxamide
CID 108502772
N'-(4-amino-3-chlorophenyl)-N-(3-bromophenyl)oxamide
CID 108516155
N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide
CID 108514915
N'-(4-amino-3-chlorophenyl)-N-(3-fluorophenyl)oxamide
CID 108516241
N'-(4-amino-3-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 108515975
N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
CID 108507997
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N-(4-amino-3-chlorophenyl)-N'-(5-chloro-2-hydroxyphenyl)oxamide
CID 108515977
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
N-(2,4-dichlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108502902

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide (CID 108516205) is N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)Nc2ccc(N)c(Cl)c2)c1.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide?
The InChIKey is FZWBLQYAXLJARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-9-5-10(2)7-12(6-9)20-16(22)15(21)19-11-3-4-14(18)13(17)8-11/h3-8H,18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide?
N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide has a molecular weight of 317.78 g/mol, XLogP of 3.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)-N'-(3,5-dimethylphenyl)oxamide is sourced from PubChem (CID 108516205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).