2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid

C22H18N2O4 — CID 1113667

IUPAC2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H18N2O4/c1-14(25)23-15-10-12-16(13-11-15)24-21(26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)22(27)28/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)
InChIKeySWMDTALDCOJRMW-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.26
Rot. Bonds5

About 2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid

2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid (PubChem CID 1113667) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid
PubChem CID1113667
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H18N2O4/c1-14(25)23-15-10-12-16(13-11-15)24-21(26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)22(27)28/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)
InChIKeySWMDTALDCOJRMW-UHFFFAOYSA-N
XLogP4.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(2-cyanophenyl)benzamide
CID 27843811
2-[6-[(4-acetamidophenyl)carbamoyl]cyclohexa-1,5-dien-1-yl]benzoic acid
CID 163702337
5-acetamido-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid
CID 22626009
2-[2-[[4-(N'-hydroxycarbamimidoyl)phenyl]carbamoyl]phenyl]benzoic acid
CID 59879871
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
CID 777419
2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 70637125
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-[[4-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785321

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid (CID 1113667) is 2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid is CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid?
The InChIKey is SWMDTALDCOJRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-14(25)23-15-10-12-16(13-11-15)24-21(26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)22(27)28/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid?
2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid has a molecular weight of 374.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 1113667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).