2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide

C19H19F3N2O2 — CID 51192745

IUPAC2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H19F3N2O2/c1-24(12-13-4-6-14(20)7-5-13)18(25)3-2-10-23-19(26)16-9-8-15(21)11-17(16)22/h4-9,11H,2-3,10,12H2,1H3,(H,23,26)
InChIKeyWNUSNWDCYCKZRB-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.27
Rot. Bonds7

About 2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide

2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide (PubChem CID 51192745) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
PubChem CID51192745
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H19F3N2O2/c1-24(12-13-4-6-14(20)7-5-13)18(25)3-2-10-23-19(26)16-9-8-15(21)11-17(16)22/h4-9,11H,2-3,10,12H2,1H3,(H,23,26)
InChIKeyWNUSNWDCYCKZRB-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.27
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

2,4-difluoro-N-[4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-oxobutyl]benzamide
CID 37492052
2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
CID 110886148
N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51181138
2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 29469634
2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 55427222
2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide
CID 32917114
N-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18168559
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 29478462
2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 134054376
N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 24655942
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51192378
2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 29481344

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide (CID 51192745) is 2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide is CN(Cc1ccc(F)cc1)C(=O)CCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The InChIKey is WNUSNWDCYCKZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-24(12-13-4-6-14(20)7-5-13)18(25)3-2-10-23-19(26)16-9-8-15(21)11-17(16)22/h4-9,11H,2-3,10,12H2,1H3,(H,23,26).
What are the key properties of 2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide has a molecular weight of 364.37 g/mol, XLogP of 3.27, 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-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 51192745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).