4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide

C12H16ClNO2 — CID 62692259

IUPAC4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H16ClNO2/c1-3-8(2)7-14-12(16)10-5-4-9(13)6-11(10)15/h4-6,8,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyTWHVQBOZQMOVIJ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.82
Rot. Bonds4

About 4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide

4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide (PubChem CID 62692259) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
PubChem CID62692259
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H16ClNO2/c1-3-8(2)7-14-12(16)10-5-4-9(13)6-11(10)15/h4-6,8,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyTWHVQBOZQMOVIJ-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
2,4-dihydroxy-N-(2-methylbutyl)benzamide
CID 107722914
4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103819904
2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220450
3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492259
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613546
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
CID 174574548
4-chloro-2-(2-methylbutylcarbamoylamino)benzoic acid
CID 62692918
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
CID 107726381

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide (CID 62692259) is 4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide is CCC(C)CNC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide?
The InChIKey is TWHVQBOZQMOVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-8(2)7-14-12(16)10-5-4-9(13)6-11(10)15/h4-6,8,15H,3,7H2,1-2H3,(H,14,16).
What are the key properties of 4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide?
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide has a molecular weight of 241.72 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 62692259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).