2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide

C12H14ClF2NO2 — CID 115870194

IUPAC2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(C)(CCO)NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C12H14ClF2NO2/c1-12(2,3-4-17)16-11(18)7-5-9(14)10(15)6-8(7)13/h5-6,17H,3-4H2,1-2H3,(H,16,18)
InChIKeyXVBLRUDZIFGVNL-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.51
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide

2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (PubChem CID 115870194) has the molecular formula C12H14ClF2NO2 and a molecular weight of 277.70 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
PubChem CID115870194
Molecular FormulaC12H14ClF2NO2
Molecular Weight277.70 g/mol
Exact Mass277.07
IUPAC Name2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(C)(CCO)NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C12H14ClF2NO2/c1-12(2,3-4-17)16-11(18)7-5-9(14)10(15)6-8(7)13/h5-6,17H,3-4H2,1-2H3,(H,16,18)
InChIKeyXVBLRUDZIFGVNL-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 52.51
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-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343249
3-[(2-chloro-4,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 64672306
2-chloro-4,5-difluoro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64556023
2-bromo-5-chloro-3-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 119052227
4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 82771628
2-[(2-chloro-4,5-difluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791903
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119521536
2-[(2-chloro-4,5-difluorobenzoyl)amino]-2-ethylbutanoic acid
CID 79807166
2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343240
2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002324
4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide
CID 115869820
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
CID 113356422

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (CID 115870194) is 2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide is CC(C)(CCO)NC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The InChIKey is XVBLRUDZIFGVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO2/c1-12(2,3-4-17)16-11(18)7-5-9(14)10(15)6-8(7)13/h5-6,17H,3-4H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide has a molecular weight of 277.70 g/mol, XLogP of 2.51, 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-(4-hydroxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 115870194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).