2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide

C14H12BrFN2O — CID 113255496

IUPAC2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C14H12BrFN2O/c1-9(10-3-2-4-12(16)7-10)18-14(19)11-5-6-17-13(15)8-11/h2-9H,1H3,(H,18,19)
InChIKeyRUJXZWFCAFKDFX-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.47
Rot. Bonds3

About 2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide

2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 113255496) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID113255496
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C14H12BrFN2O/c1-9(10-3-2-4-12(16)7-10)18-14(19)11-5-6-17-13(15)8-11/h2-9H,1H3,(H,18,19)
InChIKeyRUJXZWFCAFKDFX-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 103754324
2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 103754299
N-[1-(3-fluorophenyl)ethyl]-4-iodobenzamide
CID 47098593
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide
CID 107025556
4-[1-(3-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 115730206
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 81366044
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
2-bromo-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 103753873
N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
CID 60715179
4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086154

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 113255496) is 2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccnc(Br)c1)c1cccc(F)c1.
What is the InChIKey of 2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is RUJXZWFCAFKDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-9(10-3-2-4-12(16)7-10)18-14(19)11-5-6-17-13(15)8-11/h2-9H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide?
2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 323.17 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 113255496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).