3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid

C19H20ClN3O3 — CID 46285198

IUPAC3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
SMILESCN1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H20ClN3O3/c1-22-8-10-23(11-9-22)17-7-6-13(19(25)26)12-16(17)21-18(24)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3,(H,21,24)(H,25,26)
InChIKeyKEPFMIZOMNTDGG-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.04
Rot. Bonds4

About 3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid

3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid (PubChem CID 46285198) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
PubChem CID46285198
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
SMILESCN1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H20ClN3O3/c1-22-8-10-23(11-9-22)17-7-6-13(19(25)26)12-16(17)21-18(24)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3,(H,21,24)(H,25,26)
InChIKeyKEPFMIZOMNTDGG-UHFFFAOYSA-N
XLogP3.04
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285212
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 26900822
2-chloro-N-[2-(4-methyl-1,4-diazepan-1-yl)-5-nitrophenyl]benzamide
CID 71719508
methyl 3-[(2-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 4896727
methyl 3-benzamido-4-(4-methylpiperazin-1-yl)benzoate
CID 6457150
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(2-methylbenzoyl)amino]benzoic acid
CID 46285303
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide
CID 38917765
3-[(2-chlorobenzoyl)amino]-4-(3-ethoxycarbonylpiperidin-1-yl)benzoic acid
CID 53052820
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 26900785
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16557452

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid?
The IUPAC name of 3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid (CID 46285198) is 3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid.
What is the SMILES notation for 3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid?
The canonical SMILES for 3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid is CN1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid?
The InChIKey is KEPFMIZOMNTDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-22-8-10-23(11-9-22)17-7-6-13(19(25)26)12-16(17)21-18(24)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid?
3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid has a molecular weight of 373.84 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid is sourced from PubChem (CID 46285198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).