2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide

C19H26F2N2O2 — CID 32917114

IUPAC2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide
SMILESCC1CCC(N(C)C(=O)CCCNC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H26F2N2O2/c1-13-5-8-15(9-6-13)23(2)18(24)4-3-11-22-19(25)16-10-7-14(20)12-17(16)21/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3,(H,22,25)
InChIKeyUTCDBLWOIRIERJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.51
Rot. Bonds6

About 2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide

2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide (PubChem CID 32917114) has the molecular formula C19H26F2N2O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide
PubChem CID32917114
Molecular FormulaC19H26F2N2O2
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide
SMILESCC1CCC(N(C)C(=O)CCCNC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H26F2N2O2/c1-13-5-8-15(9-6-13)23(2)18(24)4-3-11-22-19(25)16-10-7-14(20)12-17(16)21/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3,(H,22,25)
InChIKeyUTCDBLWOIRIERJ-UHFFFAOYSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.51
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-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
CID 110886148
N-[4-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55594328
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
N-[4-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55540424
2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
CID 55717928
2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 51192571
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 134054376
2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46536013
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51220458
2,4-difluoro-N-[4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-oxobutyl]benzamide
CID 37492052
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide
CID 51130080

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide (CID 32917114) is 2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide is CC1CCC(N(C)C(=O)CCCNC(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide?
The InChIKey is UTCDBLWOIRIERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O2/c1-13-5-8-15(9-6-13)23(2)18(24)4-3-11-22-19(25)16-10-7-14(20)12-17(16)21/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3,(H,22,25).
What are the key properties of 2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.51, 6 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-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 32917114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).