7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide

C19H22ClNO3 — CID 10269202

IUPAC7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide
SMILESO=C(CCCCCC(O)c1ccc(-c2ccc(Cl)cc2)cc1)NO
InChIInChI=1S/C19H22ClNO3/c20-17-12-10-15(11-13-17)14-6-8-16(9-7-14)18(22)4-2-1-3-5-19(23)21-24/h6-13,18,22,24H,1-5H2,(H,21,23)
InChIKeyFMSDTQXRVUGCOJ-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.50
Rot. Bonds8

About 7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide

7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide (PubChem CID 10269202) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide.

Molecular Properties

Compound Name7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide
PubChem CID10269202
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide
SMILESO=C(CCCCCC(O)c1ccc(-c2ccc(Cl)cc2)cc1)NO
InChIInChI=1S/C19H22ClNO3/c20-17-12-10-15(11-13-17)14-6-8-16(9-7-14)18(22)4-2-1-3-5-19(23)21-24/h6-13,18,22,24H,1-5H2,(H,21,23)
InChIKeyFMSDTQXRVUGCOJ-UHFFFAOYSA-N
XLogP4.50
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.50
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 7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide?
The IUPAC name of 7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide (CID 10269202) is 7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide.
What is the SMILES notation for 7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide?
The canonical SMILES for 7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide is O=C(CCCCCC(O)c1ccc(-c2ccc(Cl)cc2)cc1)NO.
What is the InChIKey of 7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide?
The InChIKey is FMSDTQXRVUGCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c20-17-12-10-15(11-13-17)14-6-8-16(9-7-14)18(22)4-2-1-3-5-19(23)21-24/h6-13,18,22,24H,1-5H2,(H,21,23).
What are the key properties of 7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide?
7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide has a molecular weight of 347.84 g/mol, XLogP of 4.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide is sourced from PubChem (CID 10269202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).