3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide

C20H23F2NO2 — CID 78848081

IUPAC3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
SMILESCCc1ccc(CN(C)C(=O)CCc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H23F2NO2/c1-3-15-4-6-17(7-5-15)14-23(2)19(24)13-10-16-8-11-18(12-9-16)25-20(21)22/h4-9,11-12,20H,3,10,13-14H2,1-2H3
InChIKeyDECCKNGZCQASJI-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.44
Rot. Bonds8

About 3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide

3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide (PubChem CID 78848081) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
PubChem CID78848081
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
SMILESCCc1ccc(CN(C)C(=O)CCc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H23F2NO2/c1-3-15-4-6-17(7-5-15)14-23(2)19(24)13-10-16-8-11-18(12-9-16)25-20(21)22/h4-9,11-12,20H,3,10,13-14H2,1-2H3
InChIKeyDECCKNGZCQASJI-UHFFFAOYSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848085
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
CID 62834915
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55313057
2-(butan-2-ylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 60646782
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 55344317
3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 78848365
N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119660115
3-[4-(difluoromethoxy)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 86922903
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide (CID 78848081) is 3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide is CCc1ccc(CN(C)C(=O)CCc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide?
The InChIKey is DECCKNGZCQASJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2/c1-3-15-4-6-17(7-5-15)14-23(2)19(24)13-10-16-8-11-18(12-9-16)25-20(21)22/h4-9,11-12,20H,3,10,13-14H2,1-2H3.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide?
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide has a molecular weight of 347.41 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 78848081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).