5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide

C15H22FNO2 — CID 111446571

IUPAC5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1cc(F)ccc1C
InChIInChI=1S/C15H22FNO2/c1-5-11(3)15(4,19)9-17-14(18)13-8-12(16)7-6-10(13)2/h6-8,11,19H,5,9H2,1-4H3,(H,17,18)
InChIKeyLDTRWCUXMDHWFG-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.66
Rot. Bonds5

About 5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide

5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide (PubChem CID 111446571) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide
PubChem CID111446571
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1cc(F)ccc1C
InChIInChI=1S/C15H22FNO2/c1-5-11(3)15(4,19)9-17-14(18)13-8-12(16)7-6-10(13)2/h6-8,11,19H,5,9H2,1-4H3,(H,17,18)
InChIKeyLDTRWCUXMDHWFG-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylbenzamide
CID 66179284
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
CID 111446501
2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide
CID 109399368
4-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80538483
2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111446636
5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684
N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide
CID 114302810
1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120547
1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120346
4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111463618
1-(2-fluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111446698
(2S,3S)-2-[(5-fluoro-2-methylbenzoyl)amino]-3-methylpentanoic acid
CID 63050156

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide?
The IUPAC name of 5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide (CID 111446571) is 5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide?
The canonical SMILES for 5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide is CCC(C)C(C)(O)CNC(=O)c1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide?
The InChIKey is LDTRWCUXMDHWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-5-11(3)15(4,19)9-17-14(18)13-8-12(16)7-6-10(13)2/h6-8,11,19H,5,9H2,1-4H3,(H,17,18).
What are the key properties of 5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide?
5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide has a molecular weight of 267.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide is sourced from PubChem (CID 111446571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).