methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate

C22H16N2O3 — CID 27846126

IUPACmethyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1
InChIInChI=1S/C22H16N2O3/c1-27-22(26)15-8-6-9-17(13-15)24-21(25)20-12-5-4-11-19(20)18-10-3-2-7-16(18)14-23/h2-13H,1H3,(H,24,25)
InChIKeyLONUYARKFLHAIE-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.26
Rot. Bonds4

About methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate

methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate (PubChem CID 27846126) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
PubChem CID27846126
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Namemethyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1
InChIInChI=1S/C22H16N2O3/c1-27-22(26)15-8-6-9-17(13-15)24-21(25)20-12-5-4-11-19(20)18-10-3-2-7-16(18)14-23/h2-13H,1H3,(H,24,25)
InChIKeyLONUYARKFLHAIE-UHFFFAOYSA-N
XLogP4.26
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-[(2-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057734
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347
2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide
CID 32989896
N-(4-acetamidophenyl)-2-(2-cyanophenyl)benzamide
CID 27843811
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472
methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2676410
2-(2-cyanophenyl)-N-pyridin-3-ylbenzamide
CID 51255858
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 55877380
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-[[2-(2-cyanophenyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate (CID 27846126) is methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1.
What is the InChIKey of methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate?
The InChIKey is LONUYARKFLHAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-27-22(26)15-8-6-9-17(13-15)24-21(25)20-12-5-4-11-19(20)18-10-3-2-7-16(18)14-23/h2-13H,1H3,(H,24,25).
What are the key properties of methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate?
methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate has a molecular weight of 356.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate is sourced from PubChem (CID 27846126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).