2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide

C21H24F2N2O2 — CID 134054376

IUPAC2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide
SMILESCc1ccc(C(C)N(C)C(=O)CCCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C21H24F2N2O2/c1-14-6-8-16(9-7-14)15(2)25(3)20(26)5-4-12-24-21(27)18-11-10-17(22)13-19(18)23/h6-11,13,15H,4-5,12H2,1-3H3,(H,24,27)
InChIKeyAUYNCSZZFAIAHE-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.00
Rot. Bonds7

About 2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide

2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide (PubChem CID 134054376) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide
PubChem CID134054376
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide
SMILESCc1ccc(C(C)N(C)C(=O)CCCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C21H24F2N2O2/c1-14-6-8-16(9-7-14)15(2)25(3)20(26)5-4-12-24-21(27)18-11-10-17(22)13-19(18)23/h6-11,13,15H,4-5,12H2,1-3H3,(H,24,27)
InChIKeyAUYNCSZZFAIAHE-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55594328
2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 46586720
2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
CID 110886148
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
CID 24625565
4-chloro-N-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350252
2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide
CID 32917114
4-chloro-N-[4-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350253
N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
CID 106152842
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide (CID 134054376) is 2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide is Cc1ccc(C(C)N(C)C(=O)CCCNC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide?
The InChIKey is AUYNCSZZFAIAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-14-6-8-16(9-7-14)15(2)25(3)20(26)5-4-12-24-21(27)18-11-10-17(22)13-19(18)23/h6-11,13,15H,4-5,12H2,1-3H3,(H,24,27).
What are the key properties of 2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide has a molecular weight of 374.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 134054376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).