3,4-difluoro-N-heptylbenzamide

C14H19F2NO — CID 91717416

IUPAC3,4-difluoro-N-heptylbenzamide
SMILESCCCCCCCNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-2-3-4-5-6-9-17-14(18)11-7-8-12(15)13(16)10-11/h7-8,10H,2-6,9H2,1H3,(H,17,18)
InChIKeyMRMMODXOOVRURO-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.66
Rot. Bonds7

About 3,4-difluoro-N-heptylbenzamide

3,4-difluoro-N-heptylbenzamide (PubChem CID 91717416) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 3,4-difluoro-N-heptylbenzamide.

Molecular Properties

Compound Name3,4-difluoro-N-heptylbenzamide
PubChem CID91717416
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name3,4-difluoro-N-heptylbenzamide
SMILESCCCCCCCNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-2-3-4-5-6-9-17-14(18)11-7-8-12(15)13(16)10-11/h7-8,10H,2-6,9H2,1H3,(H,17,18)
InChIKeyMRMMODXOOVRURO-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-fluoro-N-octylbenzamide
CID 115565836
N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide
CID 113056981
N-hexyl-3,4-dimethylbenzamide
CID 4523484
3-fluoro-N-octadecylbenzamide
CID 91711883
3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide
CID 112985224
3,4-diamino-N-dodecylbenzamide
CID 22411166
N-(4-cyanobutyl)-3,4-difluorobenzamide
CID 63284826
3-[2-fluoro-4-(pentylcarbamoyl)phenyl]prop-2-enoic acid
CID 76914025
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065382
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
2,5-difluoro-N-undecylbenzamide
CID 91717430
N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-heptylbenzamide?
The IUPAC name of 3,4-difluoro-N-heptylbenzamide (CID 91717416) is 3,4-difluoro-N-heptylbenzamide.
What is the SMILES notation for 3,4-difluoro-N-heptylbenzamide?
The canonical SMILES for 3,4-difluoro-N-heptylbenzamide is CCCCCCCNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-heptylbenzamide?
The InChIKey is MRMMODXOOVRURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-3-4-5-6-9-17-14(18)11-7-8-12(15)13(16)10-11/h7-8,10H,2-6,9H2,1H3,(H,17,18).
What are the key properties of 3,4-difluoro-N-heptylbenzamide?
3,4-difluoro-N-heptylbenzamide has a molecular weight of 255.31 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-heptylbenzamide is sourced from PubChem (CID 91717416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).