2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid

C28H29NO4 — CID 23373478

IUPAC2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid
SMILESCCCCCCC(C(=O)O)c1ccc(NC(=O)C2(O)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H29NO4/c1-2-3-4-5-10-21(26(30)31)19-15-17-20(18-16-19)29-27(32)28(33)24-13-8-6-11-22(24)23-12-7-9-14-25(23)28/h6-9,11-18,21,33H,2-5,10H2,1H3,(H,29,32)(H,30,31)
InChIKeyPFYQBGZZERQCLI-UHFFFAOYSA-N
MW443.54 g/mol
LogP5.68
Rot. Bonds9

About 2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid

2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid (PubChem CID 23373478) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is 2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid.

Molecular Properties

Compound Name2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid
PubChem CID23373478
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Name2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid
SMILESCCCCCCC(C(=O)O)c1ccc(NC(=O)C2(O)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H29NO4/c1-2-3-4-5-10-21(26(30)31)19-15-17-20(18-16-19)29-27(32)28(33)24-13-8-6-11-22(24)23-12-7-9-14-25(23)28/h6-9,11-18,21,33H,2-5,10H2,1H3,(H,29,32)(H,30,31)
InChIKeyPFYQBGZZERQCLI-UHFFFAOYSA-N
XLogP5.68
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-methylbut-2-enoylamino)phenyl]heptanoic acid
CID 18177837
10-hydroxy-2-phenyloctadecanoic acid
CID 67642354
2-(4-formylphenyl)octanoic acid
CID 141188733
2-(4-fluorophenyl)nonanoic acid
CID 79434490
2-(4-fluorophenyl)heptanoic acid
CID 79435490
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-phenyloctadecanoic acid
CID 68846606
(Z)-2-(4-phenylphenyl)octadec-9-enoic acid
CID 163591600
2-[[4-(1-ethoxy-1-oxooctan-2-yl)phenyl]carbamoyl]benzoic acid
CID 54051113
2-(4-nonylphenyl)octanedioic acid
CID 139433835
methyl 2-methylidene-3-phenyldecanoate
CID 54497429
2-phenyloctadecanoyl chloride
CID 154195260
2-phenyloctadecanoate
CID 22742145

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid?
The IUPAC name of 2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid (CID 23373478) is 2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid.
What is the SMILES notation for 2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid?
The canonical SMILES for 2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid is CCCCCCC(C(=O)O)c1ccc(NC(=O)C2(O)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid?
The InChIKey is PFYQBGZZERQCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO4/c1-2-3-4-5-10-21(26(30)31)19-15-17-20(18-16-19)29-27(32)28(33)24-13-8-6-11-22(24)23-12-7-9-14-25(23)28/h6-9,11-18,21,33H,2-5,10H2,1H3,(H,29,32)(H,30,31).
What are the key properties of 2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid?
2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid has a molecular weight of 443.54 g/mol, XLogP of 5.68, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(9-hydroxyfluorene-9-carbonyl)amino]phenyl]octanoic acid is sourced from PubChem (CID 23373478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).