2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide

C15H14BrFN2O — CID 122156106

IUPAC2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccncc1F)c1cccc(Br)c1
InChIInChI=1S/C15H14BrFN2O/c1-15(2,10-4-3-5-11(16)8-10)14(20)19-13-6-7-18-9-12(13)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyAROQKHSASPSLHB-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.90
Rot. Bonds3

About 2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide

2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide (PubChem CID 122156106) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide
PubChem CID122156106
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccncc1F)c1cccc(Br)c1
InChIInChI=1S/C15H14BrFN2O/c1-15(2,10-4-3-5-11(16)8-10)14(20)19-13-6-7-18-9-12(13)17/h3-9H,1-2H3,(H,18,19,20)
InChIKeyAROQKHSASPSLHB-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3-bromophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119225762
2-bromo-N-(3-bromo-4-pyridinyl)-2-methylpropanamide
CID 114328998
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595178
N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide
CID 102820562
2-[3-[[2-(3-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231188
N-(3-fluoro-4-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103946349
4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197
2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 56823325
3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide
CID 113343068
N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280
2-bromo-N-(3-fluoro-4-pyridinyl)-3-methylbutanamide
CID 107594812

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide?
The IUPAC name of 2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide (CID 122156106) is 2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccncc1F)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide?
The InChIKey is AROQKHSASPSLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-15(2,10-4-3-5-11(16)8-10)14(20)19-13-6-7-18-9-12(13)17/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide?
2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide has a molecular weight of 337.19 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 122156106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).