N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide

C19H20F2N2O2 — CID 78802707

IUPACN-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
SMILESCc1cc(C)cc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H20F2N2O2/c1-12-8-13(2)10-15(9-12)23-18(24)4-3-7-22-19(25)16-6-5-14(20)11-17(16)21/h5-6,8-11H,3-4,7H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCHLKHSLPMRXZES-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.73
Rot. Bonds6

About N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide

N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide (PubChem CID 78802707) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
PubChem CID78802707
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
SMILESCc1cc(C)cc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H20F2N2O2/c1-12-8-13(2)10-15(9-12)23-18(24)4-3-7-22-19(25)16-6-5-14(20)11-17(16)21/h5-6,8-11H,3-4,7H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCHLKHSLPMRXZES-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.73
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-[4-(4-methylsulfanylanilino)-4-oxobutyl]benzamide
CID 27365072
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942
2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931
2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
CID 30779997
N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515
2,4-difluoro-N-[4-oxo-4-(3-propan-2-ylanilino)butyl]benzamide
CID 55376253
N-[4-[3-(ethylaminomethyl)anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 119438363
2,4-difluoro-N-[4-oxo-4-[4-(triazol-2-yl)anilino]butyl]benzamide
CID 86998515
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
N-[4-(4-bromo-2-methoxy-6-methylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 56569688
2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
CID 51312310

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide (CID 78802707) is N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide is Cc1cc(C)cc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide?
The InChIKey is CHLKHSLPMRXZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12-8-13(2)10-15(9-12)23-18(24)4-3-7-22-19(25)16-6-5-14(20)11-17(16)21/h5-6,8-11H,3-4,7H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide?
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide has a molecular weight of 346.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide is sourced from PubChem (CID 78802707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).