N-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide

C14H14FN2O+ — CID 10728971

IUPACN-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide
SMILESCCc1cc[n+](NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FN2O/c1-2-11-7-9-17(10-8-11)16-14(18)12-3-5-13(15)6-4-12/h3-10H,2H2,1H3/p+1
InChIKeySEEDHTLREZYJPB-UHFFFAOYSA-O
MW245.28 g/mol
LogP2.06
Rot. Bonds3

About N-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide

N-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide (PubChem CID 10728971) has the molecular formula C14H14FN2O+ and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide
PubChem CID10728971
Molecular FormulaC14H14FN2O+
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide
SMILESCCc1cc[n+](NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FN2O/c1-2-11-7-9-17(10-8-11)16-14(18)12-3-5-13(15)6-4-12/h3-10H,2H2,1H3/p+1
InChIKeySEEDHTLREZYJPB-UHFFFAOYSA-O
XLogP2.06
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4-ethylpyridin-1-ium-1-yl)benzamide
CID 10566473
4-tert-butyl-N-(4-ethylpyridin-1-ium-1-yl)benzamide
CID 10493186
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583
N-[2-[(4-ethylphenyl)carbamothioylamino]ethyl]-4-fluorobenzamide
CID 47510248
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
CID 71822308
N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
CID 7759216
4-fluorobenzohydrazide
CID 9972
N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46654046
1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea
CID 86916186

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide?
The IUPAC name of N-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide (CID 10728971) is N-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide?
The canonical SMILES for N-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide is CCc1cc[n+](NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide?
The InChIKey is SEEDHTLREZYJPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13FN2O/c1-2-11-7-9-17(10-8-11)16-14(18)12-3-5-13(15)6-4-12/h3-10H,2H2,1H3/p+1.
What are the key properties of N-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide?
N-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide has a molecular weight of 245.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylpyridin-1-ium-1-yl)-4-fluorobenzamide is sourced from PubChem (CID 10728971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).