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

C22H18N2O4 — CID 109049254

IUPACmethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H18N2O4/c1-28-22(27)18-9-5-6-10-19(18)24-21(26)16-13-11-15(12-14-16)20(25)23-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,25)(H,24,26)
InChIKeyITSZMMSMAXOSFU-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.98
Rot. Bonds5

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

methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate (PubChem CID 109049254) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
PubChem CID109049254
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Namemethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H18N2O4/c1-28-22(27)18-9-5-6-10-19(18)24-21(26)16-13-11-15(12-14-16)20(25)23-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,25)(H,24,26)
InChIKeyITSZMMSMAXOSFU-UHFFFAOYSA-N
XLogP3.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
methyl 2-(4-benzamidoanilino)benzoate
CID 112988422
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
methyl 2-[[4-(1-bromoethyl)benzoyl]amino]benzoate
CID 21244031
methyl 4-[[2-(phenylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178462
methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate
CID 58981232
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
methyl 2-[[4-(cyanomethyl)benzoyl]amino]benzoate
CID 82179452
2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid
CID 59023663
methyl 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]benzoate
CID 92664116
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate (CID 109049254) is methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate?
The InChIKey is ITSZMMSMAXOSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-28-22(27)18-9-5-6-10-19(18)24-21(26)16-13-11-15(12-14-16)20(25)23-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,25)(H,24,26).
What are the key properties of methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate?
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate has a molecular weight of 374.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109049254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).