3-chloro-N-hexan-3-yl-4-hydroxybenzamide

C13H18ClNO2 — CID 62046987

IUPAC3-chloro-N-hexan-3-yl-4-hydroxybenzamide
SMILESCCCC(CC)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-3-5-10(4-2)15-13(17)9-6-7-12(16)11(14)8-9/h6-8,10,16H,3-5H2,1-2H3,(H,15,17)
InChIKeyCRHYFHFZWYDXKD-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.35
Rot. Bonds5

About 3-chloro-N-hexan-3-yl-4-hydroxybenzamide

3-chloro-N-hexan-3-yl-4-hydroxybenzamide (PubChem CID 62046987) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-chloro-N-hexan-3-yl-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-hexan-3-yl-4-hydroxybenzamide
PubChem CID62046987
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-chloro-N-hexan-3-yl-4-hydroxybenzamide
SMILESCCCC(CC)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-3-5-10(4-2)15-13(17)9-6-7-12(16)11(14)8-9/h6-8,10,16H,3-5H2,1-2H3,(H,15,17)
InChIKeyCRHYFHFZWYDXKD-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid
CID 107563234
N-hexan-3-yl-3-hydroxy-4-methylbenzamide
CID 62118967
N-hexan-3-yl-3-hydroxy-4-methoxybenzamide
CID 79672456
N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
CID 114311603
N-hexan-3-yl-3-hydroxybenzamide
CID 62118966
3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide
CID 4842606
4-amino-N-hexan-3-ylbenzamide
CID 62094734
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
3-bromo-N-(1-bromopentan-3-yl)-4-chlorobenzamide
CID 107994222
3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 103222118
5-chloro-6-(ethylamino)-N-hexan-3-ylpyridine-3-carboxamide
CID 62179174
3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide
CID 103212326

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-hexan-3-yl-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-hexan-3-yl-4-hydroxybenzamide (CID 62046987) is 3-chloro-N-hexan-3-yl-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-hexan-3-yl-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-hexan-3-yl-4-hydroxybenzamide is CCCC(CC)NC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-hexan-3-yl-4-hydroxybenzamide?
The InChIKey is CRHYFHFZWYDXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-5-10(4-2)15-13(17)9-6-7-12(16)11(14)8-9/h6-8,10,16H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 3-chloro-N-hexan-3-yl-4-hydroxybenzamide?
3-chloro-N-hexan-3-yl-4-hydroxybenzamide has a molecular weight of 255.74 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-hexan-3-yl-4-hydroxybenzamide is sourced from PubChem (CID 62046987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).