3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

C12H15Cl2NO2 — CID 79252918

IUPAC3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-7(2)11(6-16)15-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyNITPYTSDXPMQKV-LLVKDONJSA-N
MW276.16 g/mol
LogP2.74
Rot. Bonds4

About 3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (PubChem CID 79252918) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
PubChem CID79252918
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-7(2)11(6-16)15-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyNITPYTSDXPMQKV-LLVKDONJSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide
CID 114316290
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxybenzamide
CID 79252019
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79247363
3,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61245438
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 107941583
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide
CID 106355004
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249540
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79246119
2-[(3,5-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 16773523
4-(chloromethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79250325

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (CID 79252918) is 3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is CC(C)[C@@H](CO)NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The InChIKey is NITPYTSDXPMQKV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-7(2)11(6-16)15-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of 3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide has a molecular weight of 276.16 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 79252918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).