N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide

C18H17F3N2O3 — CID 24546968

IUPACN-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C18H17F3N2O3/c1-23(11-12-6-8-13(9-7-12)26-18(20)21)16(24)10-22-17(25)14-4-2-3-5-15(14)19/h2-9,18H,10-11H2,1H3,(H,22,25)
InChIKeySNCANXFCIGDMIL-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.82
Rot. Bonds7

About N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 24546968) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID24546968
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C18H17F3N2O3/c1-23(11-12-6-8-13(9-7-12)26-18(20)21)16(24)10-22-17(25)14-4-2-3-5-15(14)19/h2-9,18H,10-11H2,1H3,(H,22,25)
InChIKeySNCANXFCIGDMIL-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenoxy)-N-methylacetamide
CID 78762062
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265
2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 31151745
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 51161257
2-(butan-2-ylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 60646782
2-(cyclopropylmethylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119681823
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995050
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
CID 35683846
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995346
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51160864

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide (CID 24546968) is N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is SNCANXFCIGDMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-23(11-12-6-8-13(9-7-12)26-18(20)21)16(24)10-22-17(25)14-4-2-3-5-15(14)19/h2-9,18H,10-11H2,1H3,(H,22,25).
What are the key properties of N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 366.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 24546968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).