methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate

C21H18N2O3 — CID 141290737

IUPACmethyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2)c1N
InChIInChI=1S/C21H18N2O3/c1-26-21(25)17-12-7-13-18(19(17)22)23-20(24)16-11-6-5-10-15(16)14-8-3-2-4-9-14/h2-13H,22H2,1H3,(H,23,24)
InChIKeyJRQHEURXUZQFQW-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.97
Rot. Bonds4

About methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate

methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate (PubChem CID 141290737) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate
PubChem CID141290737
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Namemethyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2)c1N
InChIInChI=1S/C21H18N2O3/c1-26-21(25)17-12-7-13-18(19(17)22)23-20(24)16-11-6-5-10-15(16)14-8-3-2-4-9-14/h2-13H,22H2,1H3,(H,23,24)
InChIKeyJRQHEURXUZQFQW-UHFFFAOYSA-N
XLogP3.97
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.97
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

2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate
CID 58552889
methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931
methyl 2-amino-3-(1-phenylethylamino)benzoate
CID 115544214
methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
CID 7763998
N-(3-methylcinnolin-5-yl)-2-phenylbenzamide
CID 59643758
2-amino-3-methoxycarbonylbenzoic acid
CID 2794812
methyl 2-amino-3-(3-methylphenyl)benzoate
CID 171919919
2-phenyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26357388
methyl 2-amino-3-(2-ethylanilino)benzoate
CID 115544520
methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate
CID 58981232

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate?
The IUPAC name of methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate (CID 141290737) is methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2)c1N.
What is the InChIKey of methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate?
The InChIKey is JRQHEURXUZQFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-26-21(25)17-12-7-13-18(19(17)22)23-20(24)16-11-6-5-10-15(16)14-8-3-2-4-9-14/h2-13H,22H2,1H3,(H,23,24).
What are the key properties of methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate?
methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate has a molecular weight of 346.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate is sourced from PubChem (CID 141290737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).