2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide

C16H22F2N2O2 — CID 78803699

IUPAC2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
SMILESCC(C)CCNC(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O2/c1-11(2)7-9-19-15(21)4-3-8-20-16(22)13-6-5-12(17)10-14(13)18/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFAQHQFNMPKSZPI-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.64
Rot. Bonds8

About 2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide

2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide (PubChem CID 78803699) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
PubChem CID78803699
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
SMILESCC(C)CCNC(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O2/c1-11(2)7-9-19-15(21)4-3-8-20-16(22)13-6-5-12(17)10-14(13)18/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFAQHQFNMPKSZPI-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.64
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

3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638
2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
CID 24625565
(2S)-2-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]hexanoic acid
CID 120615201
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
CID 106152842
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834
2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide
CID 55376253
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide (CID 78803699) is 2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide is CC(C)CCNC(=O)CCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide?
The InChIKey is FAQHQFNMPKSZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-11(2)7-9-19-15(21)4-3-8-20-16(22)13-6-5-12(17)10-14(13)18/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide has a molecular weight of 312.36 g/mol, XLogP of 2.64, 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-(3-methylbutylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 78803699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).