2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide

C19H19F2NO — CID 58110509

IUPAC2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide
SMILESCC/C(C)=C(\C)c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H19F2NO/c1-4-12(2)13(3)14-8-10-15(11-9-14)22-19(23)18-16(20)6-5-7-17(18)21/h5-11H,4H2,1-3H3,(H,22,23)/b13-12+
InChIKeyACHHECOVXQTRNJ-OUKQBFOZSA-N
MW315.36 g/mol
LogP5.42
Rot. Bonds4

About 2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide

2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide (PubChem CID 58110509) has the molecular formula C19H19F2NO and a molecular weight of 315.36 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide
PubChem CID58110509
Molecular FormulaC19H19F2NO
Molecular Weight315.36 g/mol
Exact Mass315.14
IUPAC Name2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide
SMILESCC/C(C)=C(\C)c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H19F2NO/c1-4-12(2)13(3)14-8-10-15(11-9-14)22-19(23)18-16(20)6-5-7-17(18)21/h5-11H,4H2,1-3H3,(H,22,23)/b13-12+
InChIKeyACHHECOVXQTRNJ-OUKQBFOZSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.36
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate
CID 58992446
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
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N-(4-acetylphenyl)-2-fluoro-6-methoxybenzamide
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2,6-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
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N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
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CID 104916647
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide
CID 121062127
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684
2,6-difluoro-N-(4-nitrophenyl)benzamide
CID 2841260
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
methyl N-[(Z)-4-[4-[(2,6-difluorobenzoyl)amino]phenyl]-3-ethenylhex-3-enyl]-N-methylcarbamate
CID 89022885
N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide
CID 112980490

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide (CID 58110509) is 2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide is CC/C(C)=C(\C)c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide?
The InChIKey is ACHHECOVXQTRNJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H19F2NO/c1-4-12(2)13(3)14-8-10-15(11-9-14)22-19(23)18-16(20)6-5-7-17(18)21/h5-11H,4H2,1-3H3,(H,22,23)/b13-12+.
What are the key properties of 2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide has a molecular weight of 315.36 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[(E)-3-methylpent-2-en-2-yl]phenyl]benzamide is sourced from PubChem (CID 58110509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).