2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid

C24H22N2O4 — CID 20713242

IUPAC2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(Cc3ccc(C)cc3)cc2)cc1C(=O)O
InChIInChI=1S/C24H22N2O4/c1-15-3-5-16(6-4-15)13-17-7-10-19(11-8-17)26-22(27)18-9-12-20(23(28)25-2)21(14-18)24(29)30/h3-12,14H,13H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)
InChIKeyHYIAYDZMLKQZCR-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.90
Rot. Bonds6

About 2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid

2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid (PubChem CID 20713242) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid
PubChem CID20713242
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(Cc3ccc(C)cc3)cc2)cc1C(=O)O
InChIInChI=1S/C24H22N2O4/c1-15-3-5-16(6-4-15)13-17-7-10-19(11-8-17)26-22(27)18-9-12-20(23(28)25-2)21(14-18)24(29)30/h3-12,14H,13H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)
InChIKeyHYIAYDZMLKQZCR-UHFFFAOYSA-N
XLogP3.90
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylcarbamoyl)-4-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid
CID 90076016
5-[3-carboxy-4-[(4-methylphenyl)carbamoyl]phenyl]-2-(methylcarbamoyl)benzoic acid
CID 118520306
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
2-[[4-[[4-[(2-carboxy-4-methylanilino)oxymethyl]phenyl]methyl]phenyl]carbamoyl]-5-methylbenzoic acid
CID 20733287
2,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 161042789
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
4-[3-(methylcarbamoyl)benzoyl]-2-[[4-(4-methylphenoxy)phenyl]carbamoyl]benzoic acid
CID 122538500
2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate
CID 155766667
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
5-[4-[[4-[[4-[4-[(4-aminophenyl)carbamoyl]-3-carboxyphenyl]-2-carboxybenzoyl]amino]phenyl]methoxycarbonyl]-3-carboxyphenyl]-2-(methylcarbamoyl)benzoic acid
CID 159264666
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid (CID 20713242) is 2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid is CNC(=O)c1ccc(C(=O)Nc2ccc(Cc3ccc(C)cc3)cc2)cc1C(=O)O.
What is the InChIKey of 2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is HYIAYDZMLKQZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-15-3-5-16(6-4-15)13-17-7-10-19(11-8-17)26-22(27)18-9-12-20(23(28)25-2)21(14-18)24(29)30/h3-12,14H,13H2,1-2H3,(H,25,28)(H,26,27)(H,29,30).
What are the key properties of 2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid?
2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 402.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoyl)-5-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 20713242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).