N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide

C19H17F2NO — CID 143518363

IUPACN-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(C2=CCCCC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C19H17F2NO/c20-16-7-4-8-17(21)18(16)19(23)22-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h4-5,7-12H,1-3,6H2,(H,22,23)
InChIKeyJUTPZRBFLJHKDB-UHFFFAOYSA-N
MW313.35 g/mol
LogP5.17
Rot. Bonds3

About N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide

N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide (PubChem CID 143518363) has the molecular formula C19H17F2NO and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide
PubChem CID143518363
Molecular FormulaC19H17F2NO
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(C2=CCCCC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C19H17F2NO/c20-16-7-4-8-17(21)18(16)19(23)22-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h4-5,7-12H,1-3,6H2,(H,22,23)
InChIKeyJUTPZRBFLJHKDB-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.35
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide (CID 143518363) is N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide is O=C(Nc1ccc(C2=CCCCC2)cc1)c1c(F)cccc1F.
What is the InChIKey of N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide?
The InChIKey is JUTPZRBFLJHKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO/c20-16-7-4-8-17(21)18(16)19(23)22-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h4-5,7-12H,1-3,6H2,(H,22,23).
What are the key properties of N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide?
N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide has a molecular weight of 313.35 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 143518363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).