3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

C18H16F5NO4 — CID 55743105

IUPAC3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1OC(F)F
InChIInChI=1S/C18H16F5NO4/c1-26-14-6-5-12(8-15(14)28-17(19)20)16(25)24-9-11-3-2-4-13(7-11)27-10-18(21,22)23/h2-8,17H,9-10H2,1H3,(H,24,25)
InChIKeyURONAAPLEBYERL-UHFFFAOYSA-N
MW405.32 g/mol
LogP4.17
Rot. Bonds8

About 3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (PubChem CID 55743105) has the molecular formula C18H16F5NO4 and a molecular weight of 405.32 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
PubChem CID55743105
Molecular FormulaC18H16F5NO4
Molecular Weight405.32 g/mol
Exact Mass405.10
IUPAC Name3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1OC(F)F
InChIInChI=1S/C18H16F5NO4/c1-26-14-6-5-12(8-15(14)28-17(19)20)16(25)24-9-11-3-2-4-13(7-11)27-10-18(21,22)23/h2-8,17H,9-10H2,1H3,(H,24,25)
InChIKeyURONAAPLEBYERL-UHFFFAOYSA-N
XLogP4.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 2171958
4-methylsulfanyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 78875500
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46446596
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474776
N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 51122096
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 46492035

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (CID 55743105) is 3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is URONAAPLEBYERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5NO4/c1-26-14-6-5-12(8-15(14)28-17(19)20)16(25)24-9-11-3-2-4-13(7-11)27-10-18(21,22)23/h2-8,17H,9-10H2,1H3,(H,24,25).
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 405.32 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55743105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).