4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C18H16ClFN2O — CID 3669957

IUPAC4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H16ClFN2O/c19-15-6-4-13(5-7-15)14-8-10-22(11-9-14)18(23)21-17-3-1-2-16(20)12-17/h1-8,12H,9-11H2,(H,21,23)
InChIKeyJYRFZGABBBVGNN-UHFFFAOYSA-N
MW330.79 g/mol
LogP4.80
Rot. Bonds2

About 4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 3669957) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID3669957
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H16ClFN2O/c19-15-6-4-13(5-7-15)14-8-10-22(11-9-14)18(23)21-17-3-1-2-16(20)12-17/h1-8,12H,9-11H2,(H,21,23)
InChIKeyJYRFZGABBBVGNN-UHFFFAOYSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 3669957) is 4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CC=C(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is JYRFZGABBBVGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c19-15-6-4-13(5-7-15)14-8-10-22(11-9-14)18(23)21-17-3-1-2-16(20)12-17/h1-8,12H,9-11H2,(H,21,23).
What are the key properties of 4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 330.79 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 3669957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).