2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide

C21H23F3N2O2 — CID 24625565

IUPAC2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
SMILESCC(C)C(NC(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C21H23F3N2O2/c1-13(2)20(14-5-7-15(22)8-6-14)26-19(27)4-3-11-25-21(28)17-10-9-16(23)12-18(17)24/h5-10,12-13,20H,3-4,11H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyMZOFWMOBJIGXDB-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.13
Rot. Bonds8

About 2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide

2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide (PubChem CID 24625565) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
PubChem CID24625565
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
SMILESCC(C)C(NC(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C21H23F3N2O2/c1-13(2)20(14-5-7-15(22)8-6-14)26-19(27)4-3-11-25-21(28)17-10-9-16(23)12-18(17)24/h5-10,12-13,20H,3-4,11H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyMZOFWMOBJIGXDB-UHFFFAOYSA-N
XLogP4.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
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-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
2,4-difluoro-N-[4-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 25489927
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
(2S)-2-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]hexanoic acid
CID 120615201
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421
2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 46586720
4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 63307815
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 60708185
2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide
CID 55376253
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
(2R)-2-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]-3-phenylpropanoic acid
CID 119367087

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide (CID 24625565) is 2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide is CC(C)C(NC(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccc(F)cc1.
What is the InChIKey of 2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide?
The InChIKey is MZOFWMOBJIGXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-13(2)20(14-5-7-15(22)8-6-14)26-19(27)4-3-11-25-21(28)17-10-9-16(23)12-18(17)24/h5-10,12-13,20H,3-4,11H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide has a molecular weight of 392.42 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 24625565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).