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

C15H14BrFN2O — CID 107518452

IUPAC3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ncccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-2-19(10-11-5-3-6-12(17)9-11)15(20)14-13(16)7-4-8-18-14/h3-9H,2,10H2,1H3
InChIKeyBPRLAJLAIPJFIT-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.65
Rot. Bonds4

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

3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 107518452) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID107518452
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ncccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-2-19(10-11-5-3-6-12(17)9-11)15(20)14-13(16)7-4-8-18-14/h3-9H,2,10H2,1H3
InChIKeyBPRLAJLAIPJFIT-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107518835
3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 107519162
3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
CID 107526189
4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 81294804
N-ethyl-N-[(3-fluorophenyl)methyl]-2H-triazole-4-carboxamide
CID 47335109
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340614
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624921
N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 51189967
methyl 2-[(3-bromopyridine-2-carbonyl)-ethylamino]acetate
CID 107518830
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51073091

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide (CID 107518452) is 3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide is CCN(Cc1cccc(F)c1)C(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is BPRLAJLAIPJFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-2-19(10-11-5-3-6-12(17)9-11)15(20)14-13(16)7-4-8-18-14/h3-9H,2,10H2,1H3.
What are the key properties of 3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide?
3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 337.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).