2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

C20H16BrFN2O2 — CID 55687965

IUPAC2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C20H16BrFN2O2/c1-24(13-14-4-8-16(22)9-5-14)20(25)18-3-2-12-23-19(18)26-17-10-6-15(21)7-11-17/h2-12H,13H2,1H3
InChIKeyRGDSMYAHKKDNMH-UHFFFAOYSA-N
MW415.26 g/mol
LogP5.05
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 55687965) has the molecular formula C20H16BrFN2O2 and a molecular weight of 415.26 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID55687965
Molecular FormulaC20H16BrFN2O2
Molecular Weight415.26 g/mol
Exact Mass414.04
IUPAC Name2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C20H16BrFN2O2/c1-24(13-14-4-8-16(22)9-5-14)20(25)18-3-2-12-23-19(18)26-17-10-6-15(21)7-11-17/h2-12H,13H2,1H3
InChIKeyRGDSMYAHKKDNMH-UHFFFAOYSA-N
XLogP5.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.26
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide
CID 119653810
N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 78873503
N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62176252
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62243531
2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62176798
2-(4-bromophenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]pyridine-3-carboxamide
CID 55970285
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 55579968
N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 60670598
3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid
CID 70069253
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (CID 55687965) is 2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1cccnc1Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is RGDSMYAHKKDNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O2/c1-24(13-14-4-8-16(22)9-5-14)20(25)18-3-2-12-23-19(18)26-17-10-6-15(21)7-11-17/h2-12H,13H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 415.26 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 55687965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).