N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide

C15H14BrFN2O — CID 114311258

IUPACN-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide
SMILESO=C(NC(CBr)Cc1ccccc1)c1ccncc1F
InChIInChI=1S/C15H14BrFN2O/c16-9-12(8-11-4-2-1-3-5-11)19-15(20)13-6-7-18-10-14(13)17/h1-7,10,12H,8-9H2,(H,19,20)
InChIKeyUHVBWQOVKWUHQL-UHFFFAOYSA-N
MW337.19 g/mol
LogP2.96
Rot. Bonds5

About N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide

N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide (PubChem CID 114311258) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide
PubChem CID114311258
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide
SMILESO=C(NC(CBr)Cc1ccccc1)c1ccncc1F
InChIInChI=1S/C15H14BrFN2O/c16-9-12(8-11-4-2-1-3-5-11)19-15(20)13-6-7-18-10-14(13)17/h1-7,10,12H,8-9H2,(H,19,20)
InChIKeyUHVBWQOVKWUHQL-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857
N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide
CID 114311235
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 106155981
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548
(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80751208
N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 71849163
[(2R)-1-bromo-3-pyridin-3-ylpropan-2-yl]carbamic acid
CID 139979596
N-(1-bromo-3-phenylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691100

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide (CID 114311258) is N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide is O=C(NC(CBr)Cc1ccccc1)c1ccncc1F.
What is the InChIKey of N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide?
The InChIKey is UHVBWQOVKWUHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-9-12(8-11-4-2-1-3-5-11)19-15(20)13-6-7-18-10-14(13)17/h1-7,10,12H,8-9H2,(H,19,20).
What are the key properties of N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide?
N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide has a molecular weight of 337.19 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 114311258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).