8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid

C21H24ClNO4 — CID 13025810

IUPAC8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid
SMILESO=C(O)CCCCCCCN(C(=O)c1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H24ClNO4/c22-17-9-7-16(8-10-17)21(27)23(18-11-13-19(24)14-12-18)15-5-3-1-2-4-6-20(25)26/h7-14,24H,1-6,15H2,(H,25,26)
InChIKeyVODVVRZARRSXRJ-UHFFFAOYSA-N
MW389.88 g/mol
LogP5.12
Rot. Bonds10

About 8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid

8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid (PubChem CID 13025810) has the molecular formula C21H24ClNO4 and a molecular weight of 389.88 g/mol. Its IUPAC name is 8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid.

Molecular Properties

Compound Name8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid
PubChem CID13025810
Molecular FormulaC21H24ClNO4
Molecular Weight389.88 g/mol
Exact Mass389.14
IUPAC Name8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid
SMILESO=C(O)CCCCCCCN(C(=O)c1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H24ClNO4/c22-17-9-7-16(8-10-17)21(27)23(18-11-13-19(24)14-12-18)15-5-3-1-2-4-6-20(25)26/h7-14,24H,1-6,15H2,(H,25,26)
InChIKeyVODVVRZARRSXRJ-UHFFFAOYSA-N
XLogP5.12
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.88
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)octanoic acid
CID 13025812
9-(N-benzoylanilino)nonanoic acid
CID 10066664
N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide
CID 168861521
4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid
CID 54926331
2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
CID 60825460
4-[N-[2-(N-(4-chlorobenzoyl)-4-methoxyanilino)propanoyl]-4-methoxyanilino]butanoic acid
CID 3054590
4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide
CID 168861520
4-(4-chloro-N-methylanilino)butanoic acid
CID 19918557
5-(4-chloro-N-ethylanilino)-5-oxopentanoic acid
CID 59823928
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
2-[N-(6-aminohexanoyl)-4-chloroanilino]acetic acid
CID 61162256
(4-chlorophenyl)-(3-chloropropyl)carbamic acid
CID 68525676

Frequently Asked Questions

What is the IUPAC name of 8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid?
The IUPAC name of 8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid (CID 13025810) is 8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid.
What is the SMILES notation for 8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid?
The canonical SMILES for 8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid is O=C(O)CCCCCCCN(C(=O)c1ccc(Cl)cc1)c1ccc(O)cc1.
What is the InChIKey of 8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid?
The InChIKey is VODVVRZARRSXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO4/c22-17-9-7-16(8-10-17)21(27)23(18-11-13-19(24)14-12-18)15-5-3-1-2-4-6-20(25)26/h7-14,24H,1-6,15H2,(H,25,26).
What are the key properties of 8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid?
8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid has a molecular weight of 389.88 g/mol, XLogP of 5.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(N-(4-chlorobenzoyl)-4-hydroxyanilino)octanoic acid is sourced from PubChem (CID 13025810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).