2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide

C19H14ClFN2O2 — CID 26999108

IUPAC2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccnc1Cl
InChIInChI=1S/C19H14ClFN2O2/c20-18-17(2-1-11-22-18)19(24)23-12-13-3-7-15(8-4-13)25-16-9-5-14(21)6-10-16/h1-11H,12H2,(H,23,24)
InChIKeyISGBPEPEBYGZEP-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.60
Rot. Bonds5

About 2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide

2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 26999108) has the molecular formula C19H14ClFN2O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is 2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID26999108
Molecular FormulaC19H14ClFN2O2
Molecular Weight356.78 g/mol
Exact Mass356.07
IUPAC Name2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccnc1Cl
InChIInChI=1S/C19H14ClFN2O2/c20-18-17(2-1-11-22-18)19(24)23-12-13-3-7-15(8-4-13)25-16-9-5-14(21)6-10-16/h1-11H,12H2,(H,23,24)
InChIKeyISGBPEPEBYGZEP-UHFFFAOYSA-N
XLogP4.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
CID 70703225
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
methyl 2-[4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 10159242
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 104600464
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
CID 87932328
CID 87932328
2-amino-N-[[4-(3-chloro-4-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104553
6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104369

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide (CID 26999108) is 2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is ISGBPEPEBYGZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2/c20-18-17(2-1-11-22-18)19(24)23-12-13-3-7-15(8-4-13)25-16-9-5-14(21)6-10-16/h1-11H,12H2,(H,23,24).
What are the key properties of 2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide?
2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 356.78 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 26999108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).