N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide

C20H16ClFN2O2 — CID 22612280

IUPACN-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cccnc1OCc1ccc(F)cc1
InChIInChI=1S/C20H16ClFN2O2/c21-18-6-2-1-4-15(18)12-24-19(25)17-5-3-11-23-20(17)26-13-14-7-9-16(22)10-8-14/h1-11H,12-13H2,(H,24,25)
InChIKeyJPBIHKAKZXTIHK-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.38
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide (PubChem CID 22612280) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide
PubChem CID22612280
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cccnc1OCc1ccc(F)cc1
InChIInChI=1S/C20H16ClFN2O2/c21-18-6-2-1-4-15(18)12-24-19(25)17-5-3-11-23-20(17)26-13-14-7-9-16(22)10-8-14/h1-11H,12-13H2,(H,24,25)
InChIKeyJPBIHKAKZXTIHK-UHFFFAOYSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diflufenican
CID 91735
2-(4-Chlorophenoxy)nicotinamide
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CP-457677
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VU0404251
CID 58368068
4-[(1S)-1-[[5-chloro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic Acid
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N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475365
Nlx204; nlx204
CID 132256735
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(4-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257041
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(5-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257105
2-(3-Chlorophenoxy)nicotinamide
CID 1211466
N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487805
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide (CID 22612280) is N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide is O=C(NCc1ccccc1Cl)c1cccnc1OCc1ccc(F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide?
The InChIKey is JPBIHKAKZXTIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c21-18-6-2-1-4-15(18)12-24-19(25)17-5-3-11-23-20(17)26-13-14-7-9-16(22)10-8-14/h1-11H,12-13H2,(H,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide has a molecular weight of 370.81 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 22612280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).