4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide

C12H15ClFNO2 — CID 79290471

IUPAC4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO2/c1-12(2,17)7-15(3)11(16)9-5-4-8(13)6-10(9)14/h4-6,17H,7H2,1-3H3
InChIKeyZZVDNLDISXGDBL-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.32
Rot. Bonds3

About 4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide

4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide (PubChem CID 79290471) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
PubChem CID79290471
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO2/c1-12(2,17)7-15(3)11(16)9-5-4-8(13)6-10(9)14/h4-6,17H,7H2,1-3H3
InChIKeyZZVDNLDISXGDBL-UHFFFAOYSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 43408243
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 106994076
1-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,5-dimethyltriazole-4-carboxamide
CID 111697965
3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide
CID 111976989
5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide
CID 111542931
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387779
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 86824171
N-[(5-chloro-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178864

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide (CID 79290471) is 4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide is CN(CC(C)(C)O)C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The InChIKey is ZZVDNLDISXGDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-12(2,17)7-15(3)11(16)9-5-4-8(13)6-10(9)14/h4-6,17H,7H2,1-3H3.
What are the key properties of 4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide has a molecular weight of 259.71 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide is sourced from PubChem (CID 79290471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).