4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

C13H18ClNO2 — CID 103945880

IUPAC4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-3-13(2,8-9-16)15-12(17)10-4-6-11(14)7-5-10/h4-7,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyTXCFCOFWHQBHKT-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.62
Rot. Bonds5

About 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (PubChem CID 103945880) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
PubChem CID103945880
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-3-13(2,8-9-16)15-12(17)10-4-6-11(14)7-5-10/h4-7,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyTXCFCOFWHQBHKT-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
(E)-3-(4-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 103946118
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
4-chloro-N-(5-hydroxy-2-methylpentan-2-yl)benzamide
CID 136573165
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
N-(1-hydroxy-3-methylpentan-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 110002431
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-2-nitrobenzamide
CID 103945607
4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002142

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (CID 103945880) is 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is CCC(C)(CCO)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The InChIKey is TXCFCOFWHQBHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-13(2,8-9-16)15-12(17)10-4-6-11(14)7-5-10/h4-7,16H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide has a molecular weight of 255.75 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 103945880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).