2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide

C12H16ClNO3 — CID 106502483

IUPAC2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H16ClNO3/c1-8(4-5-15)7-14-12(17)10-6-9(16)2-3-11(10)13/h2-3,6,8,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyIHUKSBPQSRYJMX-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.79
Rot. Bonds5

About 2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide

2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide (PubChem CID 106502483) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
PubChem CID106502483
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H16ClNO3/c1-8(4-5-15)7-14-12(17)10-6-9(16)2-3-11(10)13/h2-3,6,8,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyIHUKSBPQSRYJMX-UHFFFAOYSA-N
XLogP1.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-hydroxy-2-methylbutyl)-5-sulfanylbenzamide
CID 107031763
4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 103867092
2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103941390
2-chloro-5-hydroxy-N-(2-methylsulfanylpropyl)benzamide
CID 106502147
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
CID 107725987
N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
CID 114146404
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66091263
4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103876642
2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576
N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide
CID 114316716
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106434

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide (CID 106502483) is 2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide is CC(CCO)CNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide?
The InChIKey is IHUKSBPQSRYJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8(4-5-15)7-14-12(17)10-6-9(16)2-3-11(10)13/h2-3,6,8,15-16H,4-5,7H2,1H3,(H,14,17).
What are the key properties of 2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide?
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide has a molecular weight of 257.72 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide is sourced from PubChem (CID 106502483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).