N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide

C14H12BrFN2O — CID 64949894

IUPACN-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1F)c1cccc(Br)c1
InChIInChI=1S/C14H12BrFN2O/c1-9(10-3-2-4-11(15)7-10)18-14(19)12-5-6-17-8-13(12)16/h2-9H,1H3,(H,18,19)
InChIKeyDFYSWLLNQHQSGM-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.47
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide

N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide (PubChem CID 64949894) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide
PubChem CID64949894
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1F)c1cccc(Br)c1
InChIInChI=1S/C14H12BrFN2O/c1-9(10-3-2-4-11(15)7-10)18-14(19)12-5-6-17-8-13(12)16/h2-9H,1H3,(H,18,19)
InChIKeyDFYSWLLNQHQSGM-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

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Related Compounds

3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750
N-[1-(3-bromophenyl)ethyl]-4-chloropyridine-3-carboxamide
CID 81227386
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 61139612
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
CID 28558105
N-[1-(3-bromophenyl)ethyl]pyrimidine-5-carboxamide
CID 113434406
N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
CID 107015012
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 46598763
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide (CID 64949894) is N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide is CC(NC(=O)c1ccncc1F)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is DFYSWLLNQHQSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-9(10-3-2-4-11(15)7-10)18-14(19)12-5-6-17-8-13(12)16/h2-9H,1H3,(H,18,19).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide?
N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-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 N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64949894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).