N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide

C14H17FN2O — CID 10586635

IUPACN-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide
SMILESCCC1=CCN(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O/c1-2-11-7-9-17(10-8-11)16-14(18)12-3-5-13(15)6-4-12/h3-7H,2,8-10H2,1H3,(H,16,18)
InChIKeyXLQUULABVLJOHD-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.51
Rot. Bonds3

About N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide

N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide (PubChem CID 10586635) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide
PubChem CID10586635
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide
SMILESCCC1=CCN(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O/c1-2-11-7-9-17(10-8-11)16-14(18)12-3-5-13(15)6-4-12/h3-7H,2,8-10H2,1H3,(H,16,18)
InChIKeyXLQUULABVLJOHD-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide?
The IUPAC name of N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide (CID 10586635) is N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide?
The canonical SMILES for N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide is CCC1=CCN(NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide?
The InChIKey is XLQUULABVLJOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-11-7-9-17(10-8-11)16-14(18)12-3-5-13(15)6-4-12/h3-7H,2,8-10H2,1H3,(H,16,18).
What are the key properties of N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide?
N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide has a molecular weight of 248.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-4-fluorobenzamide is sourced from PubChem (CID 10586635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).