5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid

C25H24ClN3O4 — CID 46362988

IUPAC5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)O)CC1
InChIInChI=1S/C25H24ClN3O4/c1-33-23-5-3-2-4-22(23)29-14-12-28(13-15-29)21-11-10-19(16-20(21)25(31)32)27-24(30)17-6-8-18(26)9-7-17/h2-11,16H,12-15H2,1H3,(H,27,30)(H,31,32)
InChIKeyXZWQVAIYXZJKDK-UHFFFAOYSA-N
MW465.94 g/mol
LogP4.63
Rot. Bonds6

About 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid

5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid (PubChem CID 46362988) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid.

Molecular Properties

Compound Name5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
PubChem CID46362988
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC Name5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)O)CC1
InChIInChI=1S/C25H24ClN3O4/c1-33-23-5-3-2-4-22(23)29-14-12-28(13-15-29)21-11-10-19(16-20(21)25(31)32)27-24(30)17-6-8-18(26)9-7-17/h2-11,16H,12-15H2,1H3,(H,27,30)(H,31,32)
InChIKeyXZWQVAIYXZJKDK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146060597
5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064583
5-[(4-chlorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylbenzamide
CID 1064627
5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5138387
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid
CID 46362995
5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3875300
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146060590
N-benzyl-5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42660137
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide
CID 5032555
5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 42755759
N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-nitrobenzoyl)amino]benzamide
CID 42755713
5-[(4-chlorobenzoyl)amino]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]benzoic acid
CID 7179760

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid?
The IUPAC name of 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid (CID 46362988) is 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid.
What is the SMILES notation for 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid?
The canonical SMILES for 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid is COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)O)CC1.
What is the InChIKey of 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid?
The InChIKey is XZWQVAIYXZJKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-33-23-5-3-2-4-22(23)29-14-12-28(13-15-29)21-11-10-19(16-20(21)25(31)32)27-24(30)17-6-8-18(26)9-7-17/h2-11,16H,12-15H2,1H3,(H,27,30)(H,31,32).
What are the key properties of 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid?
5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]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-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid is sourced from PubChem (CID 46362988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).