methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate

C16H15ClN2O3 — CID 28723647

IUPACmethyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C16H15ClN2O3/c1-9-3-4-10(7-13(9)18)15(20)19-14-8-11(16(21)22-2)5-6-12(14)17/h3-8H,18H2,1-2H3,(H,19,20)
InChIKeyHORKNYWNRGVBHS-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.27
Rot. Bonds3

About methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate

methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate (PubChem CID 28723647) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate
PubChem CID28723647
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Namemethyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C16H15ClN2O3/c1-9-3-4-10(7-13(9)18)15(20)19-14-8-11(16(21)22-2)5-6-12(14)17/h3-8H,18H2,1-2H3,(H,19,20)
InChIKeyHORKNYWNRGVBHS-UHFFFAOYSA-N
XLogP3.27
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340
ethane;methyl 3-amino-4-methylbenzoate
CID 142981906
methyl 4-chloro-3-[[3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 4207135
methyl 3-[(4-chloro-3-nitrobenzoyl)amino]-4-methylbenzoate
CID 1122289
methyl 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-chlorobenzoate
CID 62794444
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate
CID 110700432
2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid
CID 63723613
methyl 3-amino-4-(2,6-dichloro-3-methylanilino)benzoate
CID 63421793
methyl 4-amino-3-(2,6-dichloro-3-methylanilino)benzoate
CID 82775518
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate (CID 28723647) is methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(N)c2)c1.
What is the InChIKey of methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate?
The InChIKey is HORKNYWNRGVBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-9-3-4-10(7-13(9)18)15(20)19-14-8-11(16(21)22-2)5-6-12(14)17/h3-8H,18H2,1-2H3,(H,19,20).
What are the key properties of methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate?
methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate has a molecular weight of 318.76 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate is sourced from PubChem (CID 28723647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).