3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide

C18H19F2NO3 — CID 75869929

IUPAC3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccc(C(C)N(C)C(=O)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C18H19F2NO3/c1-12(13-7-9-15(23-3)10-8-13)21(2)17(22)14-5-4-6-16(11-14)24-18(19)20/h4-12,18H,1-3H3
InChIKeyZZULFBQRRBJXHM-UHFFFAOYSA-N
MW335.35 g/mol
LogP4.13
Rot. Bonds6

About 3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide

3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 75869929) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID75869929
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccc(C(C)N(C)C(=O)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C18H19F2NO3/c1-12(13-7-9-15(23-3)10-8-13)21(2)17(22)14-5-4-6-16(11-14)24-18(19)20/h4-12,18H,1-3H3
InChIKeyZZULFBQRRBJXHM-UHFFFAOYSA-N
XLogP4.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 55365016
3-methoxy-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17461750
3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044546
3-(2-amino-2-oxoethoxy)-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054424
3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043700
3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054213
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate
CID 60767021
(E)-3-[4-(difluoromethoxy)phenyl]-1-(3-methoxyphenyl)prop-2-en-1-one
CID 6210972
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
3-(difluoromethoxy)-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735708

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide (CID 75869929) is 3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide is COc1ccc(C(C)N(C)C(=O)c2cccc(OC(F)F)c2)cc1.
What is the InChIKey of 3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is ZZULFBQRRBJXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-12(13-7-9-15(23-3)10-8-13)21(2)17(22)14-5-4-6-16(11-14)24-18(19)20/h4-12,18H,1-3H3.
What are the key properties of 3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide?
3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 335.35 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 75869929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).