methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate

C22H19NO3 — CID 58981232

IUPACmethyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C22H19NO3/c1-15-7-3-4-8-18(15)16-11-13-17(14-12-16)21(24)23-20-10-6-5-9-19(20)22(25)26-2/h3-14H,1-2H3,(H,23,24)
InChIKeyCWVFXXOSCIRTFY-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.70
Rot. Bonds4

About methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate

methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate (PubChem CID 58981232) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate
PubChem CID58981232
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Namemethyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C22H19NO3/c1-15-7-3-4-8-18(15)16-11-13-17(14-12-16)21(24)23-20-10-6-5-9-19(20)22(25)26-2/h3-14H,1-2H3,(H,23,24)
InChIKeyCWVFXXOSCIRTFY-UHFFFAOYSA-N
XLogP4.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
methyl 2-[[4-(1-bromoethyl)benzoyl]amino]benzoate
CID 21244031
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
methyl 2-[[4-(cyanomethyl)benzoyl]amino]benzoate
CID 82179452
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate
CID 19062657
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778
methyl 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]benzoate
CID 92664116
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate (CID 58981232) is methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2C)cc1.
What is the InChIKey of methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate?
The InChIKey is CWVFXXOSCIRTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-15-7-3-4-8-18(15)16-11-13-17(14-12-16)21(24)23-20-10-6-5-9-19(20)22(25)26-2/h3-14H,1-2H3,(H,23,24).
What are the key properties of methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate?
methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate has a molecular weight of 345.40 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate is sourced from PubChem (CID 58981232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).