2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate

C22H18NO3- — CID 155766667

IUPAC2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate
SMILESCc1ccc(Cc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1
InChIInChI=1S/C22H19NO3/c1-15-6-8-16(9-7-15)14-17-10-12-18(13-11-17)23-21(24)19-4-2-3-5-20(19)22(25)26/h2-13H,14H2,1H3,(H,23,24)(H,25,26)/p-1
InChIKeyNRSBRCRKJLDEOM-UHFFFAOYSA-M
MW344.39 g/mol
LogP3.20
Rot. Bonds5

About 2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate

2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate (PubChem CID 155766667) has the molecular formula C22H18NO3- and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Name2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate
PubChem CID155766667
Molecular FormulaC22H18NO3-
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate
SMILESCc1ccc(Cc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1
InChIInChI=1S/C22H19NO3/c1-15-6-8-16(9-7-15)14-17-10-12-18(13-11-17)23-21(24)19-4-2-3-5-20(19)22(25)26/h2-13H,14H2,1H3,(H,23,24)(H,25,26)/p-1
InChIKeyNRSBRCRKJLDEOM-UHFFFAOYSA-M
XLogP3.20
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trisodium;2-[[4-(phosphonatomethyl)phenyl]carbamoyl]benzoate
CID 59817031
2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
2-[(4-methylphenyl)methyl]benzoate
CID 7039635
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170
2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 6920825
2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 7068760
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707
2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid
CID 20713242
N-(4-methylphenyl)-2-methylsulfinylbenzamide
CID 12718460

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate?
The IUPAC name of 2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate (CID 155766667) is 2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate.
What is the SMILES notation for 2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate?
The canonical SMILES for 2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate is Cc1ccc(Cc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1.
What is the InChIKey of 2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate?
The InChIKey is NRSBRCRKJLDEOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H19NO3/c1-15-6-8-16(9-7-15)14-17-10-12-18(13-11-17)23-21(24)19-4-2-3-5-20(19)22(25)26/h2-13H,14H2,1H3,(H,23,24)(H,25,26)/p-1.
What are the key properties of 2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate?
2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate has a molecular weight of 344.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 155766667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).