3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride

C21H18ClNO3 — CID 70145450

IUPAC3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
SMILESCc1ccc(-c2ccccc2C(=O)Nc2cccc(C(=O)O)c2)cc1.Cl
InChIInChI=1S/C21H17NO3.ClH/c1-14-9-11-15(12-10-14)18-7-2-3-8-19(18)20(23)22-17-6-4-5-16(13-17)21(24)25;/h2-13H,1H3,(H,22,23)(H,24,25);1H
InChIKeyJHOOUIVEWROQQX-UHFFFAOYSA-N
MW367.83 g/mol
LogP5.03
Rot. Bonds4

About 3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride

3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride (PubChem CID 70145450) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
PubChem CID70145450
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
SMILESCc1ccc(-c2ccccc2C(=O)Nc2cccc(C(=O)O)c2)cc1.Cl
InChIInChI=1S/C21H17NO3.ClH/c1-14-9-11-15(12-10-14)18-7-2-3-8-19(18)20(23)22-17-6-4-5-16(13-17)21(24)25;/h2-13H,1H3,(H,22,23)(H,24,25);1H
InChIKeyJHOOUIVEWROQQX-UHFFFAOYSA-N
XLogP5.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
CID 151250225
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
5-methyl-2-(4-methylphenyl)-N-phenylbenzamide
CID 173213744
3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 143217956
3-[(2-carbamoylbenzoyl)amino]benzoic acid
CID 4607393
2-phenyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 31812149
5-[3-carboxy-4-[(3-carboxyphenyl)carbamoyl]phenyl]-2-[(3-carboxyphenyl)carbamoyl]benzoic acid
CID 22629828
N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70145257
N-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-phenylbenzamide
CID 70144629
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide
CID 176857902
N-[4-(ethylamino)phenyl]-2-(4-methylphenyl)benzamide
CID 141052756

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride?
The IUPAC name of 3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride (CID 70145450) is 3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride.
What is the SMILES notation for 3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride?
The canonical SMILES for 3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride is Cc1ccc(-c2ccccc2C(=O)Nc2cccc(C(=O)O)c2)cc1.Cl.
What is the InChIKey of 3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride?
The InChIKey is JHOOUIVEWROQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3.ClH/c1-14-9-11-15(12-10-14)18-7-2-3-8-19(18)20(23)22-17-6-4-5-16(13-17)21(24)25;/h2-13H,1H3,(H,22,23)(H,24,25);1H.
What are the key properties of 3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride?
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride has a molecular weight of 367.83 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride is sourced from PubChem (CID 70145450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).