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

C22H17NO4 — CID 26922776

IUPACmethyl 3-[(2-benzoylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C22H17NO4/c1-27-22(26)16-10-7-11-17(14-16)23-21(25)19-13-6-5-12-18(19)20(24)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,25)
InChIKeyMTMLEXUCTLAQFC-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.96
Rot. Bonds5

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

methyl 3-[(2-benzoylbenzoyl)amino]benzoate (PubChem CID 26922776) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is methyl 3-[(2-benzoylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-benzoylbenzoyl)amino]benzoate
PubChem CID26922776
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Namemethyl 3-[(2-benzoylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C22H17NO4/c1-27-22(26)16-10-7-11-17(14-16)23-21(25)19-13-6-5-12-18(19)20(24)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,25)
InChIKeyMTMLEXUCTLAQFC-UHFFFAOYSA-N
XLogP3.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(2-benzoylbenzoyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347
methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2676410
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
2-benzoyl-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841462
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 43422875
methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
CID 27846126
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-benzoylbenzoyl)amino]benzoate?
The IUPAC name of methyl 3-[(2-benzoylbenzoyl)amino]benzoate (CID 26922776) is methyl 3-[(2-benzoylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2-benzoylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2-benzoylbenzoyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1.
What is the InChIKey of methyl 3-[(2-benzoylbenzoyl)amino]benzoate?
The InChIKey is MTMLEXUCTLAQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c1-27-22(26)16-10-7-11-17(14-16)23-21(25)19-13-6-5-12-18(19)20(24)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,25).
What are the key properties of methyl 3-[(2-benzoylbenzoyl)amino]benzoate?
methyl 3-[(2-benzoylbenzoyl)amino]benzoate has a molecular weight of 359.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-benzoylbenzoyl)amino]benzoate is sourced from PubChem (CID 26922776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).