5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide

C16H16ClNO2 — CID 35806665

IUPAC5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClNO2/c17-13-8-9-15(19)14(11-13)16(20)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,19H,4,7,10H2,(H,18,20)
InChIKeyJOYSMALNXCHLQY-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.41
Rot. Bonds5

About 5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide

5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide (PubChem CID 35806665) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide
PubChem CID35806665
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClNO2/c17-13-8-9-15(19)14(11-13)16(20)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,19H,4,7,10H2,(H,18,20)
InChIKeyJOYSMALNXCHLQY-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.41
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide (CID 35806665) is 5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide?
The InChIKey is JOYSMALNXCHLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-13-8-9-15(19)14(11-13)16(20)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,19H,4,7,10H2,(H,18,20).
What are the key properties of 5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide?
5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide has a molecular weight of 289.76 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 35806665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).