5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide

C19H22ClNO2 — CID 11994494

IUPAC5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide
SMILESCCCCCCc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C19H22ClNO2/c1-2-3-4-5-6-14-7-10-16(11-8-14)21-19(23)17-13-15(20)9-12-18(17)22/h7-13,22H,2-6H2,1H3,(H,21,23)
InChIKeyFBPKPVGWUPTDLX-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.42
Rot. Bonds7

About 5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide

5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide (PubChem CID 11994494) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide
PubChem CID11994494
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide
SMILESCCCCCCc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C19H22ClNO2/c1-2-3-4-5-6-14-7-10-16(11-8-14)21-19(23)17-13-15(20)9-12-18(17)22/h7-13,22H,2-6H2,1H3,(H,21,23)
InChIKeyFBPKPVGWUPTDLX-UHFFFAOYSA-N
XLogP5.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.42
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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Related Compounds

sodium 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]butanoate
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N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
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ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate
CID 76852556
5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305952
N-(4-butylphenyl)-4-chloro-2-nitrobenzamide
CID 3118662
5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide
CID 1203722
3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide
CID 142869631
4-[4-[(2,5-dichlorobenzoyl)amino]phenyl]butanoic acid
CID 21037055
1-(2-hydroxy-5-nonylphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide (CID 11994494) is 5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide is CCCCCCc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide?
The InChIKey is FBPKPVGWUPTDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-2-3-4-5-6-14-7-10-16(11-8-14)21-19(23)17-13-15(20)9-12-18(17)22/h7-13,22H,2-6H2,1H3,(H,21,23).
What are the key properties of 5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide?
5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide has a molecular weight of 331.84 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide is sourced from PubChem (CID 11994494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).