4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide

C16H11F7N2O — CID 59607199

IUPAC4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C16H11F7N2O/c1-25(12-3-2-8-24-9-12)13(26)10-4-6-11(7-5-10)14(17,18)15(19,20)16(21,22)23/h2-9H,1H3
InChIKeyOKMGAACIWWDONK-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.65
Rot. Bonds4

About 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide

4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide (PubChem CID 59607199) has the molecular formula C16H11F7N2O and a molecular weight of 380.26 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide
PubChem CID59607199
Molecular FormulaC16H11F7N2O
Molecular Weight380.26 g/mol
Exact Mass380.08
IUPAC Name4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C16H11F7N2O/c1-25(12-3-2-8-24-9-12)13(26)10-4-6-11(7-5-10)14(17,18)15(19,20)16(21,22)23/h2-9H,1H3
InChIKeyOKMGAACIWWDONK-UHFFFAOYSA-N
XLogP4.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027
N-methyl-4-nitro-N-pyridin-3-ylbenzamide
CID 59607131
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
6-methoxy-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 59607054
4-(4,6-dimethylpyrimidin-2-yl)oxy-N-methyl-N-pyridin-3-ylbenzamide
CID 59607202
N-methyl-N-pyridin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998985
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide
CID 59607069
N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
CID 70618728
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 103889921
4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide
CID 59607196

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide (CID 59607199) is 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide is CN(C(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is OKMGAACIWWDONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F7N2O/c1-25(12-3-2-8-24-9-12)13(26)10-4-6-11(7-5-10)14(17,18)15(19,20)16(21,22)23/h2-9H,1H3.
What are the key properties of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide?
4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 380.26 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 59607199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).