4-(dibenzylcarbamoyl)benzoic acid

C22H19NO3 — CID 67563328

IUPAC4-(dibenzylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c24-21(19-11-13-20(14-12-19)22(25)26)23(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,26)
InChIKeyMPPNCARAUOYKHU-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.23
Rot. Bonds6

About 4-(dibenzylcarbamoyl)benzoic acid

4-(dibenzylcarbamoyl)benzoic acid (PubChem CID 67563328) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(dibenzylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name4-(dibenzylcarbamoyl)benzoic acid
PubChem CID67563328
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name4-(dibenzylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c24-21(19-11-13-20(14-12-19)22(25)26)23(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,26)
InChIKeyMPPNCARAUOYKHU-UHFFFAOYSA-N
XLogP4.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
N,N-dibenzyl-4-[2-(hydroxyamino)-2-oxoethyl]benzamide
CID 71519573
2-[[4-(dibenzylcarbamoyl)phenyl]methyl-methylamino]acetic acid
CID 59826363
1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide
CID 20615921
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N,N-dibenzyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 1312535
4-[[N-[(4-carboxyphenyl)methyl]anilino]methyl]benzoic acid
CID 101475742
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 42695464
N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide
CID 80663058

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylcarbamoyl)benzoic acid?
The IUPAC name of 4-(dibenzylcarbamoyl)benzoic acid (CID 67563328) is 4-(dibenzylcarbamoyl)benzoic acid.
What is the SMILES notation for 4-(dibenzylcarbamoyl)benzoic acid?
The canonical SMILES for 4-(dibenzylcarbamoyl)benzoic acid is O=C(O)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 4-(dibenzylcarbamoyl)benzoic acid?
The InChIKey is MPPNCARAUOYKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-21(19-11-13-20(14-12-19)22(25)26)23(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,26).
What are the key properties of 4-(dibenzylcarbamoyl)benzoic acid?
4-(dibenzylcarbamoyl)benzoic acid has a molecular weight of 345.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylcarbamoyl)benzoic acid is sourced from PubChem (CID 67563328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).