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

C20H16ClFN2O2 — CID 38526114

IUPAC2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C20H16ClFN2O2/c21-19-11-16(8-9-23-19)20(25)24-12-14-4-6-18(7-5-14)26-13-15-2-1-3-17(22)10-15/h1-11H,12-13H2,(H,24,25)
InChIKeyINYNOCYWXRCHPA-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.38
Rot. Bonds6

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

2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 38526114) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is 2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide
PubChem CID38526114
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC Name2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C20H16ClFN2O2/c21-19-11-16(8-9-23-19)20(25)24-12-14-4-6-18(7-5-14)26-13-15-2-1-3-17(22)10-15/h1-11H,12-13H2,(H,24,25)
InChIKeyINYNOCYWXRCHPA-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

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydroxy-5-nitrobenzamide
CID 175444405
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide
CID 123999268
4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
CID 119283185
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
N-[(4-chlorophenyl)methyl]-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109170915
tert-butyl N-[3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-oxopropyl]carbamate
CID 38525612
(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide
CID 153327338
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide (CID 38526114) is 2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is INYNOCYWXRCHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c21-19-11-16(8-9-23-19)20(25)24-12-14-4-6-18(7-5-14)26-13-15-2-1-3-17(22)10-15/h1-11H,12-13H2,(H,24,25).
What are the key properties of 2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide?
2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-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 2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 38526114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).