2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid

C25H23Cl2NO3 — CID 68687338

IUPAC2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid
SMILESO=C(O)c1ccccc1CCCCCc1ccccc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C25H23Cl2NO3/c26-20-14-8-15-21(27)23(20)24(29)28-22-16-7-5-12-18(22)11-3-1-2-9-17-10-4-6-13-19(17)25(30)31/h4-8,10,12-16H,1-3,9,11H2,(H,28,29)(H,30,31)
InChIKeyWYWBHJUKDWBYGB-UHFFFAOYSA-N
MW456.37 g/mol
LogP6.90
Rot. Bonds9

About 2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid

2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid (PubChem CID 68687338) has the molecular formula C25H23Cl2NO3 and a molecular weight of 456.37 g/mol. Its IUPAC name is 2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid.

Molecular Properties

Compound Name2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid
PubChem CID68687338
Molecular FormulaC25H23Cl2NO3
Molecular Weight456.37 g/mol
Exact Mass455.11
IUPAC Name2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid
SMILESO=C(O)c1ccccc1CCCCCc1ccccc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C25H23Cl2NO3/c26-20-14-8-15-21(27)23(20)24(29)28-22-16-7-5-12-18(22)11-3-1-2-9-17-10-4-6-13-19(17)25(30)31/h4-8,10,12-16H,1-3,9,11H2,(H,28,29)(H,30,31)
InChIKeyWYWBHJUKDWBYGB-UHFFFAOYSA-N
XLogP6.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid
CID 6438389
2-(2,4-Dichlorobenzamido)-5-methylbenzoic acid
CID 4287647
4'-Chlorophthalanilic acid
CID 238009
5,7-dichloro-4-hydroxy-3-phenyl-1H-quinolin-2-one
CID 54710618
2-[3-(4-Phenylphenyl)propanamido]benzoic acid
CID 11617151
2-[(3-Chloranyl-2-phenyl-phenyl)amino]benzoic acid
CID 146019236
2-[3-[4-(2-Methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11523335
2-({3-[(3-Chlorobenzoyl)amino]benzoyl}amino)benzoic acid
CID 1217038
2-[(3,5-Dichlorophenyl)amino]benzoic acid
CID 644279
N-(3-Chlorophenyl)phthalamic acid
CID 221873
3'-Chloro-4'-methylphthalanilic acid
CID 295154
2-[(2-Chlorobenzoyl)amino]benzoic acid
CID 728438

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid?
The IUPAC name of 2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid (CID 68687338) is 2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid.
What is the SMILES notation for 2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid?
The canonical SMILES for 2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid is O=C(O)c1ccccc1CCCCCc1ccccc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid?
The InChIKey is WYWBHJUKDWBYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2NO3/c26-20-14-8-15-21(27)23(20)24(29)28-22-16-7-5-12-18(22)11-3-1-2-9-17-10-4-6-13-19(17)25(30)31/h4-8,10,12-16H,1-3,9,11H2,(H,28,29)(H,30,31).
What are the key properties of 2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid?
2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid has a molecular weight of 456.37 g/mol, XLogP of 6.90, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[(2,6-dichlorobenzoyl)amino]phenyl]pentyl]benzoic acid is sourced from PubChem (CID 68687338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).