4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide

C12H15ClFNO2 — CID 115884638

IUPAC4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(O)C(C)(C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO2/c1-7(16)12(2,3)15-11(17)9-5-4-8(13)6-10(9)14/h4-7,16H,1-3H3,(H,15,17)
InChIKeyMWXNUDTZPCSSCX-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.37
Rot. Bonds3

About 4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide

4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide (PubChem CID 115884638) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
PubChem CID115884638
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(O)C(C)(C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO2/c1-7(16)12(2,3)15-11(17)9-5-4-8(13)6-10(9)14/h4-7,16H,1-3H3,(H,15,17)
InChIKeyMWXNUDTZPCSSCX-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbutanoate
CID 94810009
2-[(5-chloro-2-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 79792917
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
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2-chloro-N-(3-hydroxy-2-methylbutan-2-yl)-4-nitrobenzamide
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N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide
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4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
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4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide
CID 83187469
4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110003172
tert-butyl N-[(4-chloro-2-fluorobenzoyl)amino]carbamate
CID 26043246
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532
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CID 103723353

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide (CID 115884638) is 4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide is CC(O)C(C)(C)NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide?
The InChIKey is MWXNUDTZPCSSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-7(16)12(2,3)15-11(17)9-5-4-8(13)6-10(9)14/h4-7,16H,1-3H3,(H,15,17).
What are the key properties of 4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide?
4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide has a molecular weight of 259.71 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 115884638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).