N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide

C20H23F2NO4 — CID 26120167

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(OC(F)F)cc2)cc1OCC
InChIInChI=1S/C20H23F2NO4/c1-3-25-17-10-5-14(13-18(17)26-4-2)11-12-23-19(24)15-6-8-16(9-7-15)27-20(21)22/h5-10,13,20H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyXZBHFAHTVLAWKZ-UHFFFAOYSA-N
MW379.40 g/mol
LogP4.06
Rot. Bonds10

About N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide

N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide (PubChem CID 26120167) has the molecular formula C20H23F2NO4 and a molecular weight of 379.40 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide
PubChem CID26120167
Molecular FormulaC20H23F2NO4
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(OC(F)F)cc2)cc1OCC
InChIInChI=1S/C20H23F2NO4/c1-3-25-17-10-5-14(13-18(17)26-4-2)11-12-23-19(24)15-6-8-16(9-7-15)27-20(21)22/h5-10,13,20H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyXZBHFAHTVLAWKZ-UHFFFAOYSA-N
XLogP4.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide 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

4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78796652
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 26851304
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 110788878
N-[1-[2-(3,4-diethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55337522
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 55397617
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide (CID 26120167) is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide is CCOc1ccc(CCNC(=O)c2ccc(OC(F)F)cc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide?
The InChIKey is XZBHFAHTVLAWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO4/c1-3-25-17-10-5-14(13-18(17)26-4-2)11-12-23-19(24)15-6-8-16(9-7-15)27-20(21)22/h5-10,13,20H,3-4,11-12H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide has a molecular weight of 379.40 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 26120167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).