2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide

C18H18BrFN2O3 — CID 71893565

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1Oc1ccc(F)cc1Br)C1CCCO1
InChIInChI=1S/C18H18BrFN2O3/c1-11(15-5-3-9-24-15)22-17(23)13-4-2-8-21-18(13)25-16-7-6-12(20)10-14(16)19/h2,4,6-8,10-11,15H,3,5,9H2,1H3,(H,22,23)
InChIKeyPLKSKTINBRIKRP-UHFFFAOYSA-N
MW409.26 g/mol
LogP4.07
Rot. Bonds5

About 2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide

2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 71893565) has the molecular formula C18H18BrFN2O3 and a molecular weight of 409.26 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID71893565
Molecular FormulaC18H18BrFN2O3
Molecular Weight409.26 g/mol
Exact Mass408.05
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1Oc1ccc(F)cc1Br)C1CCCO1
InChIInChI=1S/C18H18BrFN2O3/c1-11(15-5-3-9-24-15)22-17(23)13-4-2-8-21-18(13)25-16-7-6-12(20)10-14(16)19/h2,4,6-8,10-11,15H,3,5,9H2,1H3,(H,22,23)
InChIKeyPLKSKTINBRIKRP-UHFFFAOYSA-N
XLogP4.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyridine-3-carboxamide
CID 35250402
2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide
CID 86862309
methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62648709
[4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55789308
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47047756
2-(2-bromo-4-fluorophenoxy)-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55789405
5-amino-2-bromo-4-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62816463
1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95568571
1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95568574
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 55609530
1-(3-bromo-4-methoxyphenyl)-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 96530944

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide (CID 71893565) is 2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1Oc1ccc(F)cc1Br)C1CCCO1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is PLKSKTINBRIKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3/c1-11(15-5-3-9-24-15)22-17(23)13-4-2-8-21-18(13)25-16-7-6-12(20)10-14(16)19/h2,4,6-8,10-11,15H,3,5,9H2,1H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 409.26 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71893565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).