3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide

C11H13Cl2NO2 — CID 97019669

IUPAC3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
SMILESC[C@@H](CCO)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-7(4-5-15)14-11(16)8-2-3-9(12)10(13)6-8/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyQWRVYQHOWJGDRN-ZETCQYMHSA-N
MW262.14 g/mol
LogP2.49
Rot. Bonds4

About 3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide

3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide (PubChem CID 97019669) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
PubChem CID97019669
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
SMILESC[C@@H](CCO)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-7(4-5-15)14-11(16)8-2-3-9(12)10(13)6-8/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyQWRVYQHOWJGDRN-ZETCQYMHSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane
CID 157235630
N-[(2S)-6-aminohexan-2-yl]-3,4-dichlorobenzamide;sulfane
CID 158295050
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
2-chloro-N-[(2R)-4-hydroxybutan-2-yl]-1,3-benzoxazole-6-carboxamide
CID 100786984
3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 18711929
(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 42255555
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide (CID 97019669) is 3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide is C[C@@H](CCO)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide?
The InChIKey is QWRVYQHOWJGDRN-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-7(4-5-15)14-11(16)8-2-3-9(12)10(13)6-8/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)/t7-/m0/s1.
What are the key properties of 3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide?
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide has a molecular weight of 262.14 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 97019669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).