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

C14H20FNO2 — CID 63213629

IUPAC4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC(CO)CC(C)C)ccc1F
InChIInChI=1S/C14H20FNO2/c1-9(2)6-12(8-17)16-14(18)11-4-5-13(15)10(3)7-11/h4-5,7,9,12,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyLECZOTFTSOHTBR-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.27
Rot. Bonds5

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

4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide (PubChem CID 63213629) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
PubChem CID63213629
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC(CO)CC(C)C)ccc1F
InChIInChI=1S/C14H20FNO2/c1-9(2)6-12(8-17)16-14(18)11-4-5-13(15)10(3)7-11/h4-5,7,9,12,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyLECZOTFTSOHTBR-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

3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 63977631
3,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61245438
N-(4-bromobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 83178455
4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 81295056
5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61242019
N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115622752

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide (CID 63213629) is 4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide is Cc1cc(C(=O)NC(CO)CC(C)C)ccc1F.
What is the InChIKey of 4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide?
The InChIKey is LECZOTFTSOHTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(2)6-12(8-17)16-14(18)11-4-5-13(15)10(3)7-11/h4-5,7,9,12,17H,6,8H2,1-3H3,(H,16,18).
What are the key properties of 4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide?
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-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 4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 63213629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).