4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide

C13H18ClNO2 — CID 91660036

IUPAC4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C13H18ClNO2/c1-8(2)12(7-16)15-13(17)11-5-4-10(14)6-9(11)3/h4-6,8,12,16H,7H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyUWQFVFBMZVMCOW-GFCCVEGCSA-N
MW255.74 g/mol
LogP2.40
Rot. Bonds4

About 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide

4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide (PubChem CID 91660036) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
PubChem CID91660036
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C13H18ClNO2/c1-8(2)12(7-16)15-13(17)11-5-4-10(14)6-9(11)3/h4-6,8,12,16H,7H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyUWQFVFBMZVMCOW-GFCCVEGCSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249540
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 79246429
N-(1-bromo-3-methylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82891279
5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 79252704
5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 115532816
2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252938
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918
N-(1-chloro-4-methylpentan-3-yl)-2,4-dimethylbenzamide
CID 114177660
2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-5-sulfanylbenzamide
CID 107032027
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
CID 114027907
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 81110423

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide?
The IUPAC name of 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide (CID 91660036) is 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide is Cc1cc(Cl)ccc1C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide?
The InChIKey is UWQFVFBMZVMCOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8(2)12(7-16)15-13(17)11-5-4-10(14)6-9(11)3/h4-6,8,12,16H,7H2,1-3H3,(H,15,17)/t12-/m1/s1.
What are the key properties of 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide?
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide has a molecular weight of 255.74 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 91660036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).