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

C16H20F2N2O2 — CID 46536013

IUPAC2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
SMILESCC1CCC(NC(=O)CNC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O2/c1-10-2-5-12(6-3-10)20-15(21)9-19-16(22)13-7-4-11(17)8-14(13)18/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyIVOSMBXDEXIVAD-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.39
Rot. Bonds4

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

2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide (PubChem CID 46536013) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
PubChem CID46536013
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
SMILESCC1CCC(NC(=O)CNC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O2/c1-10-2-5-12(6-3-10)20-15(21)9-19-16(22)13-7-4-11(17)8-14(13)18/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyIVOSMBXDEXIVAD-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
N-[2-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559772
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(difluoromethoxy)-4-fluorobenzamide
CID 71977709
N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63184835
4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24692664
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide
CID 32917114
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
5-fluoro-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 31306165
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide (CID 46536013) is 2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide is CC1CCC(NC(=O)CNC(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
The InChIKey is IVOSMBXDEXIVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-10-2-5-12(6-3-10)20-15(21)9-19-16(22)13-7-4-11(17)8-14(13)18/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide has a molecular weight of 310.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46536013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).