3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide

C11H14ClNO2 — CID 107097794

IUPAC3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)N[C@@H](C)CO
InChIInChI=1S/C11H14ClNO2/c1-7(6-14)13-11(15)9-4-3-5-10(12)8(9)2/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyWDGRGTKKRDMMCA-ZETCQYMHSA-N
MW227.69 g/mol
LogP1.76
Rot. Bonds3

About 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide (PubChem CID 107097794) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
PubChem CID107097794
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)N[C@@H](C)CO
InChIInChI=1S/C11H14ClNO2/c1-7(6-14)13-11(15)9-4-3-5-10(12)8(9)2/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyWDGRGTKKRDMMCA-ZETCQYMHSA-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

3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 82829211
(2S)-2-[(3-chloro-2-methylbenzoyl)amino]propanoic acid
CID 107095878
3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbenzamide
CID 107168142
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide
CID 124854885
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 82839881
N-(1-chloropropan-2-yl)-2,3-dimethylbenzamide
CID 114299454
5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 115532816
N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide
CID 107098204
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide?
The IUPAC name of 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide (CID 107097794) is 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)N[C@@H](C)CO.
What is the InChIKey of 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide?
The InChIKey is WDGRGTKKRDMMCA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7(6-14)13-11(15)9-4-3-5-10(12)8(9)2/h3-5,7,14H,6H2,1-2H3,(H,13,15)/t7-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide?
3-chloro-N-[(2S)-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 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 107097794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).