5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide

C11H14ClNO2 — CID 115532816

IUPAC5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC(C)CO
InChIInChI=1S/C11H14ClNO2/c1-7-3-4-9(12)5-10(7)11(15)13-8(2)6-14/h3-5,8,14H,6H2,1-2H3,(H,13,15)
InChIKeyIQHRATWIBJSLRF-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.76
Rot. Bonds3

About 5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide

5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide (PubChem CID 115532816) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
PubChem CID115532816
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC(C)CO
InChIInChI=1S/C11H14ClNO2/c1-7-3-4-9(12)5-10(7)11(15)13-8(2)6-14/h3-5,8,14H,6H2,1-2H3,(H,13,15)
InChIKeyIQHRATWIBJSLRF-UHFFFAOYSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 115532903
2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93081140
5-chloro-N-(1-cyano-2-methylpropyl)-2-methylbenzamide
CID 113329999
N-(1-bromo-3-methylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82891279
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 91660036
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
5-chloro-N-hydroxy-2-methylbenzamide
CID 82883226
5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
CID 114299358
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide?
The IUPAC name of 5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide (CID 115532816) is 5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NC(C)CO.
What is the InChIKey of 5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide?
The InChIKey is IQHRATWIBJSLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7-3-4-9(12)5-10(7)11(15)13-8(2)6-14/h3-5,8,14H,6H2,1-2H3,(H,13,15).
What are the key properties of 5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide?
5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide has a molecular weight of 227.69 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 115532816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).