2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide

C24H24BrFN2O — CID 123982115

IUPAC2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
SMILESCc1cc(-c2ccc(NC(=O)C(CC(C)C)c3ccc(F)c(Br)c3)cc2)ccn1
InChIInChI=1S/C24H24BrFN2O/c1-15(2)12-21(19-6-9-23(26)22(25)14-19)24(29)28-20-7-4-17(5-8-20)18-10-11-27-16(3)13-18/h4-11,13-15,21H,12H2,1-3H3,(H,28,29)
InChIKeyFCUBIJLQWHHNMS-UHFFFAOYSA-N
MW455.37 g/mol
LogP6.73
Rot. Bonds6

About 2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide

2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide (PubChem CID 123982115) has the molecular formula C24H24BrFN2O and a molecular weight of 455.37 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
PubChem CID123982115
Molecular FormulaC24H24BrFN2O
Molecular Weight455.37 g/mol
Exact Mass454.11
IUPAC Name2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
SMILESCc1cc(-c2ccc(NC(=O)C(CC(C)C)c3ccc(F)c(Br)c3)cc2)ccn1
InChIInChI=1S/C24H24BrFN2O/c1-15(2)12-21(19-6-9-23(26)22(25)14-19)24(29)28-20-7-4-17(5-8-20)18-10-11-27-16(3)13-18/h4-11,13-15,21H,12H2,1-3H3,(H,28,29)
InChIKeyFCUBIJLQWHHNMS-UHFFFAOYSA-N
XLogP6.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.37
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide with MolForge

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Related Compounds

4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
CID 67309518
2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 58335435
2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123240301
2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide
CID 42638599
(2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123178305
(2R)-2-(3-fluoro-4-phenylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67307773
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide
CID 67308595
2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308427
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67309019
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
1-[1-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053166

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide (CID 123982115) is 2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide is Cc1cc(-c2ccc(NC(=O)C(CC(C)C)c3ccc(F)c(Br)c3)cc2)ccn1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
The InChIKey is FCUBIJLQWHHNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrFN2O/c1-15(2)12-21(19-6-9-23(26)22(25)14-19)24(29)28-20-7-4-17(5-8-20)18-10-11-27-16(3)13-18/h4-11,13-15,21H,12H2,1-3H3,(H,28,29).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide?
2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide has a molecular weight of 455.37 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide is sourced from PubChem (CID 123982115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).