N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide

C17H17F2NO2 — CID 7997620

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H17F2NO2/c1-12-2-6-14(7-3-12)16(21)20-11-10-13-4-8-15(9-5-13)22-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyZQPPSLXWXSKBGN-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.57
Rot. Bonds6

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide (PubChem CID 7997620) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
PubChem CID7997620
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H17F2NO2/c1-12-2-6-14(7-3-12)16(21)20-11-10-13-4-8-15(9-5-13)22-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyZQPPSLXWXSKBGN-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78796652
tert-butyl N-[4-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoyl]phenyl]carbamate
CID 55396791
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 26120167
4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837749
4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 18117689
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methoxymethyl)benzamide
CID 51201923
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18116815
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 8578327

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide (CID 7997620) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide?
The InChIKey is ZQPPSLXWXSKBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-12-2-6-14(7-3-12)16(21)20-11-10-13-4-8-15(9-5-13)22-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide has a molecular weight of 305.32 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 7997620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).