8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide

C20H24ClNO3 — CID 10109248

IUPAC8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide
SMILESO=C(CCCCCCC(O)c1ccc(-c2ccc(Cl)cc2)cc1)NO
InChIInChI=1S/C20H24ClNO3/c21-18-13-11-16(12-14-18)15-7-9-17(10-8-15)19(23)5-3-1-2-4-6-20(24)22-25/h7-14,19,23,25H,1-6H2,(H,22,24)
InChIKeyKKIRKMOUGXARQA-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.89
Rot. Bonds9

About 8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide

8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide (PubChem CID 10109248) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide.

Molecular Properties

Compound Name8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide
PubChem CID10109248
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide
SMILESO=C(CCCCCCC(O)c1ccc(-c2ccc(Cl)cc2)cc1)NO
InChIInChI=1S/C20H24ClNO3/c21-18-13-11-16(12-14-18)15-7-9-17(10-8-15)19(23)5-3-1-2-4-6-20(24)22-25/h7-14,19,23,25H,1-6H2,(H,22,24)
InChIKeyKKIRKMOUGXARQA-UHFFFAOYSA-N
XLogP4.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide?
The IUPAC name of 8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide (CID 10109248) is 8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide.
What is the SMILES notation for 8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide?
The canonical SMILES for 8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide is O=C(CCCCCCC(O)c1ccc(-c2ccc(Cl)cc2)cc1)NO.
What is the InChIKey of 8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide?
The InChIKey is KKIRKMOUGXARQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c21-18-13-11-16(12-14-18)15-7-9-17(10-8-15)19(23)5-3-1-2-4-6-20(24)22-25/h7-14,19,23,25H,1-6H2,(H,22,24).
What are the key properties of 8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide?
8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide has a molecular weight of 361.87 g/mol, XLogP of 4.89, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-chlorophenyl)phenyl]-N,8-dihydroxyoctanamide is sourced from PubChem (CID 10109248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).