N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide

C20H22F2N2O5 — CID 55847529

IUPACN-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cccc(OC(F)F)c2)cc1OCC
InChIInChI=1S/C20H22F2N2O5/c1-3-27-16-9-8-13(10-17(16)28-4-2)19(26)23-12-18(25)24-14-6-5-7-15(11-14)29-20(21)22/h5-11,20H,3-4,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeySEVZHGOYIORRAR-UHFFFAOYSA-N
MW408.40 g/mol
LogP3.45
Rot. Bonds10

About N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide

N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide (PubChem CID 55847529) has the molecular formula C20H22F2N2O5 and a molecular weight of 408.40 g/mol. Its IUPAC name is N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
PubChem CID55847529
Molecular FormulaC20H22F2N2O5
Molecular Weight408.40 g/mol
Exact Mass408.15
IUPAC NameN-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cccc(OC(F)F)c2)cc1OCC
InChIInChI=1S/C20H22F2N2O5/c1-3-27-16-9-8-13(10-17(16)28-4-2)19(26)23-12-18(25)24-14-6-5-7-15(11-14)29-20(21)22/h5-11,20H,3-4,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeySEVZHGOYIORRAR-UHFFFAOYSA-N
XLogP3.45
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide 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

3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635770
3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide
CID 55946843
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29155297
4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323
N-[2-(3-acetylanilino)-2-oxoethyl]-4-(difluoromethoxy)benzamide
CID 7780383
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9412072
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 38105972
3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 55834639
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3,4-diethoxybenzamide
CID 90577265

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide (CID 55847529) is N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)Nc2cccc(OC(F)F)c2)cc1OCC.
What is the InChIKey of N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide?
The InChIKey is SEVZHGOYIORRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O5/c1-3-27-16-9-8-13(10-17(16)28-4-2)19(26)23-12-18(25)24-14-6-5-7-15(11-14)29-20(21)22/h5-11,20H,3-4,12H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide?
N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide has a molecular weight of 408.40 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 55847529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).