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

C19H18ClFN2O — CID 9392289

IUPACN-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18ClFN2O/c20-17-3-1-2-14(12-17)13-22-19(24)23-10-8-16(9-11-23)15-4-6-18(21)7-5-15/h1-8,12H,9-11,13H2,(H,22,24)
InChIKeyKXCXJVDEBJTWQQ-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.48
Rot. Bonds3

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

N-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 9392289) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID9392289
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC NameN-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18ClFN2O/c20-17-3-1-2-14(12-17)13-22-19(24)23-10-8-16(9-11-23)15-4-6-18(21)7-5-15/h1-8,12H,9-11,13H2,(H,22,24)
InChIKeyKXCXJVDEBJTWQQ-UHFFFAOYSA-N
XLogP4.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 9392289) is N-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NCc1cccc(Cl)c1)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is KXCXJVDEBJTWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c20-17-3-1-2-14(12-17)13-22-19(24)23-10-8-16(9-11-23)15-4-6-18(21)7-5-15/h1-8,12H,9-11,13H2,(H,22,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 344.82 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 9392289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).