N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide

C20H21F2NO3 — CID 55344317

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H21F2NO3/c1-14-3-7-16(8-4-14)18(24)11-12-19(25)23(2)13-15-5-9-17(10-6-15)26-20(21)22/h3-10,20H,11-13H2,1-2H3
InChIKeyJJADKAVKJNDYQC-UHFFFAOYSA-N
MW361.39 g/mol
LogP4.22
Rot. Bonds8

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 55344317) has the molecular formula C20H21F2NO3 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID55344317
Molecular FormulaC20H21F2NO3
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H21F2NO3/c1-14-3-7-16(8-4-14)18(24)11-12-19(25)23(2)13-15-5-9-17(10-6-15)26-20(21)22/h3-10,20H,11-13H2,1-2H3
InChIKeyJJADKAVKJNDYQC-UHFFFAOYSA-N
XLogP4.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 78801197
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide
CID 8965301
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848085
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
CID 62834915
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55314984
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide (CID 55344317) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is JJADKAVKJNDYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO3/c1-14-3-7-16(8-4-14)18(24)11-12-19(25)23(2)13-15-5-9-17(10-6-15)26-20(21)22/h3-10,20H,11-13H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 361.39 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 55344317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).