3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide

C14H20FNO2 — CID 61247340

IUPAC3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CO)CC(C)C)cc1F
InChIInChI=1S/C14H20FNO2/c1-9(2)6-12(8-17)16-14(18)11-5-4-10(3)13(15)7-11/h4-5,7,9,12,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyIVICDTCZPWNXJW-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.27
Rot. Bonds5

About 3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide

3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide (PubChem CID 61247340) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
PubChem CID61247340
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CO)CC(C)C)cc1F
InChIInChI=1S/C14H20FNO2/c1-9(2)6-12(8-17)16-14(18)11-5-4-10(3)13(15)7-11/h4-5,7,9,12,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyIVICDTCZPWNXJW-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide
CID 51950559
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 63977631
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
1-[(3-fluoro-4-methylphenyl)methyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424633
4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 81295056

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide (CID 61247340) is 3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC(CO)CC(C)C)cc1F.
What is the InChIKey of 3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide?
The InChIKey is IVICDTCZPWNXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(2)6-12(8-17)16-14(18)11-5-4-10(3)13(15)7-11/h4-5,7,9,12,17H,6,8H2,1-3H3,(H,16,18).
What are the key properties of 3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide?
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide has a molecular weight of 253.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 61247340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).