2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide

C11H12ClF2NO2 — CID 93032296

IUPAC2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H12ClF2NO2/c1-2-6(5-16)15-11(17)7-3-9(13)10(14)4-8(7)12/h3-4,6,16H,2,5H2,1H3,(H,15,17)/t6-/m0/s1
InChIKeyXZKUVFCLECNPEF-LURJTMIESA-N
MW263.67 g/mol
LogP2.12
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide

2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide (PubChem CID 93032296) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
PubChem CID93032296
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Name2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H12ClF2NO2/c1-2-6(5-16)15-11(17)7-3-9(13)10(14)4-8(7)12/h3-4,6,16H,2,5H2,1H3,(H,15,17)/t6-/m0/s1
InChIKeyXZKUVFCLECNPEF-LURJTMIESA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide
CID 65315016
4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide
CID 82771853
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93081059
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103919695
3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide
CID 93033016
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
2-chloro-4,5-difluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376554
N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
CID 65193733

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide (CID 93032296) is 2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide is CC[C@@H](CO)NC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is XZKUVFCLECNPEF-LURJTMIESA-N. The full InChI is InChI=1S/C11H12ClF2NO2/c1-2-6(5-16)15-11(17)7-3-9(13)10(14)4-8(7)12/h3-4,6,16H,2,5H2,1H3,(H,15,17)/t6-/m0/s1.
What are the key properties of 2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 263.67 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 93032296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).