N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide

C15H14BrFN2O — CID 115645898

IUPACN-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide
SMILESCC(C)(NC(=O)c1ccncc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrFN2O/c1-15(2,10-3-5-11(16)6-4-10)19-14(20)12-7-8-18-9-13(12)17/h3-9H,1-2H3,(H,19,20)
InChIKeyADQWYWGOOSQKRY-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.65
Rot. Bonds3

About N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide

N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 115645898) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide
PubChem CID115645898
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide
SMILESCC(C)(NC(=O)c1ccncc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrFN2O/c1-15(2,10-3-5-11(16)6-4-10)19-14(20)12-7-8-18-9-13(12)17/h3-9H,1-2H3,(H,19,20)
InChIKeyADQWYWGOOSQKRY-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide
CID 107951863
2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide
CID 62056776
N-(3-carbamothioylpentan-3-yl)-3-fluoropyridine-4-carboxamide
CID 64950085
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64950255
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 64949895
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458220
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide
CID 110870294

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide (CID 115645898) is N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide is CC(C)(NC(=O)c1ccncc1F)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is ADQWYWGOOSQKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-15(2,10-3-5-11(16)6-4-10)19-14(20)12-7-8-18-9-13(12)17/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide?
N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 337.19 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115645898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).