2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide

C12H15Cl2NO2 — CID 95776247

IUPAC2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
SMILESCC[C@](C)(O)CNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-3-12(2,17)7-15-11(16)8-5-4-6-9(13)10(8)14/h4-6,17H,3,7H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeySLBWAPDGHBDMEX-LBPRGKRZSA-N
MW276.16 g/mol
LogP2.88
Rot. Bonds4

About 2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide

2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide (PubChem CID 95776247) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
PubChem CID95776247
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
SMILESCC[C@](C)(O)CNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-3-12(2,17)7-15-11(16)8-5-4-6-9(13)10(8)14/h4-6,17H,3,7H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeySLBWAPDGHBDMEX-LBPRGKRZSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66170217
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916
3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113363841
2-(ethylamino)-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65109341
2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide
CID 144603664
3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103461936
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
N-tert-butyl-2,3-dichlorobenzamide
CID 60643074
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide
CID 103848640
2-chloro-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984298
3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139493

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide (CID 95776247) is 2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide is CC[C@](C)(O)CNC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide?
The InChIKey is SLBWAPDGHBDMEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-3-12(2,17)7-15-11(16)8-5-4-6-9(13)10(8)14/h4-6,17H,3,7H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of 2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide?
2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide has a molecular weight of 276.16 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide is sourced from PubChem (CID 95776247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).