4-chloro-N-(5-hydroxypentyl)benzamide

C12H16ClNO2 — CID 107318437

IUPAC4-chloro-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c13-11-6-4-10(5-7-11)12(16)14-8-2-1-3-9-15/h4-7,15H,1-3,8-9H2,(H,14,16)
InChIKeyZKZPEKGFPLFTNJ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.23
Rot. Bonds6

About 4-chloro-N-(5-hydroxypentyl)benzamide

4-chloro-N-(5-hydroxypentyl)benzamide (PubChem CID 107318437) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-(5-hydroxypentyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-hydroxypentyl)benzamide
PubChem CID107318437
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-chloro-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c13-11-6-4-10(5-7-11)12(16)14-8-2-1-3-9-15/h4-7,15H,1-3,8-9H2,(H,14,16)
InChIKeyZKZPEKGFPLFTNJ-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.23
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

4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 3082615
4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 103919086
4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
CID 107317159
4-fluoro-N-(6-hydroxyhexyl)-3-sulfanylbenzamide
CID 114009456
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 10133172
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
3-amino-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107316243
N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide
CID 103919178

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-hydroxypentyl)benzamide?
The IUPAC name of 4-chloro-N-(5-hydroxypentyl)benzamide (CID 107318437) is 4-chloro-N-(5-hydroxypentyl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-hydroxypentyl)benzamide?
The canonical SMILES for 4-chloro-N-(5-hydroxypentyl)benzamide is O=C(NCCCCCO)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-hydroxypentyl)benzamide?
The InChIKey is ZKZPEKGFPLFTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-11-6-4-10(5-7-11)12(16)14-8-2-1-3-9-15/h4-7,15H,1-3,8-9H2,(H,14,16).
What are the key properties of 4-chloro-N-(5-hydroxypentyl)benzamide?
4-chloro-N-(5-hydroxypentyl)benzamide has a molecular weight of 241.72 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-hydroxypentyl)benzamide is sourced from PubChem (CID 107318437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).