5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid

C25H24ClN3O4 — CID 50782404

IUPAC5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccc3Cl)CC2)cc1C(=O)O
InChIInChI=1S/C25H24ClN3O4/c1-33-23-9-5-2-6-18(23)24(30)27-21-11-10-17(16-19(21)25(31)32)28-12-14-29(15-13-28)22-8-4-3-7-20(22)26/h2-11,16H,12-15H2,1H3,(H,27,30)(H,31,32)
InChIKeyCZGPHFROCNYFCX-UHFFFAOYSA-N
MW465.94 g/mol
LogP4.63
Rot. Bonds6

About 5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid

5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid (PubChem CID 50782404) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is 5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid
PubChem CID50782404
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC Name5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccc3Cl)CC2)cc1C(=O)O
InChIInChI=1S/C25H24ClN3O4/c1-33-23-9-5-2-6-18(23)24(30)27-21-11-10-17(16-19(21)25(31)32)28-12-14-29(15-13-28)22-8-4-3-7-20(22)26/h2-11,16H,12-15H2,1H3,(H,27,30)(H,31,32)
InChIKeyCZGPHFROCNYFCX-UHFFFAOYSA-N
XLogP4.63
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782341
2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid
CID 146347180
5-[4-(2-chlorophenyl)piperazin-1-yl]-2-(propanoylamino)benzoic acid
CID 50782232
5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(3-methylbenzoyl)amino]benzoic acid
CID 50781854
N-(2-acetyl-4-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 66659181
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-[(2-methylbenzoyl)amino]benzoic acid
CID 50781853
5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 45345783
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
2-[(3-chlorobenzoyl)amino]-5-[4-(2-ethoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782313
2-[(2-chlorobenzoyl)amino]-5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)benzoic acid
CID 50781058
2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide
CID 2954012

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid (CID 50782404) is 5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid is COc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccc3Cl)CC2)cc1C(=O)O.
What is the InChIKey of 5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid?
The InChIKey is CZGPHFROCNYFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-33-23-9-5-2-6-18(23)24(30)27-21-11-10-17(16-19(21)25(31)32)28-12-14-29(15-13-28)22-8-4-3-7-20(22)26/h2-11,16H,12-15H2,1H3,(H,27,30)(H,31,32).
What are the key properties of 5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid?
5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid has a molecular weight of 465.94 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 50782404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).