methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate

C15H13ClN2O3 — CID 28748885

IUPACmethyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(N)cc2Cl)c1
InChIInChI=1S/C15H13ClN2O3/c1-21-15(20)9-3-2-4-11(7-9)18-14(19)12-6-5-10(17)8-13(12)16/h2-8H,17H2,1H3,(H,18,19)
InChIKeyRESGLBYMLHBSAB-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.96
Rot. Bonds3

About methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate

methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate (PubChem CID 28748885) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate
PubChem CID28748885
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Namemethyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(N)cc2Cl)c1
InChIInChI=1S/C15H13ClN2O3/c1-21-15(20)9-3-2-4-11(7-9)18-14(19)12-6-5-10(17)8-13(12)16/h2-8H,17H2,1H3,(H,18,19)
InChIKeyRESGLBYMLHBSAB-UHFFFAOYSA-N
XLogP2.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.96
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

ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803624
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
CID 16792666
3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
CID 87323399
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide
CID 119852845
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
methyl 3-(carbamoylamino)benzoate
CID 2822841
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347
methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 115584192

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate?
The IUPAC name of methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate (CID 28748885) is methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(N)cc2Cl)c1.
What is the InChIKey of methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate?
The InChIKey is RESGLBYMLHBSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-21-15(20)9-3-2-4-11(7-9)18-14(19)12-6-5-10(17)8-13(12)16/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate?
methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate has a molecular weight of 304.73 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 28748885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).