4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide

C15H20FNO2 — CID 142277121

IUPAC4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide
SMILESCC(O)/C=C(\CC(C)C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-10(2)8-14(9-11(3)18)17-15(19)12-4-6-13(16)7-5-12/h4-7,9-11,18H,8H2,1-3H3,(H,17,19)/b14-9+
InChIKeyKQWPGDIBBBADTR-NTEUORMPSA-N
MW265.33 g/mol
LogP2.87
Rot. Bonds5

About 4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide

4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide (PubChem CID 142277121) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide
PubChem CID142277121
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide
SMILESCC(O)/C=C(\CC(C)C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-10(2)8-14(9-11(3)18)17-15(19)12-4-6-13(16)7-5-12/h4-7,9-11,18H,8H2,1-3H3,(H,17,19)/b14-9+
InChIKeyKQWPGDIBBBADTR-NTEUORMPSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol
CID 139263654
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
4-fluoro-N-(4-oxobutan-2-yl)benzamide
CID 58870084
N-(dimethylcarbamoyl)-4-fluorobenzamide
CID 134890610
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4131322
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
4-fluorobenzohydrazide
CID 9972
4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
CID 4791204
4-fluoro-N-(methylcarbamothioyl)benzamide
CID 4948510
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide (CID 142277121) is 4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide is CC(O)/C=C(\CC(C)C)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide?
The InChIKey is KQWPGDIBBBADTR-NTEUORMPSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10(2)8-14(9-11(3)18)17-15(19)12-4-6-13(16)7-5-12/h4-7,9-11,18H,8H2,1-3H3,(H,17,19)/b14-9+.
What are the key properties of 4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide?
4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide has a molecular weight of 265.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide is sourced from PubChem (CID 142277121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).