N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide

C19H17Cl2F2NO3 — CID 3627150

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cc(C=CC(=O)NCCc2ccc(Cl)cc2Cl)ccc1OC(F)F
InChIInChI=1S/C19H17Cl2F2NO3/c1-26-17-10-12(2-6-16(17)27-19(22)23)3-7-18(25)24-9-8-13-4-5-14(20)11-15(13)21/h2-7,10-11,19H,8-9H2,1H3,(H,24,25)
InChIKeyBAZPBHXUTMWGAU-UHFFFAOYSA-N
MW416.25 g/mol
LogP4.98
Rot. Bonds8

About N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide (PubChem CID 3627150) has the molecular formula C19H17Cl2F2NO3 and a molecular weight of 416.25 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
PubChem CID3627150
Molecular FormulaC19H17Cl2F2NO3
Molecular Weight416.25 g/mol
Exact Mass415.06
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cc(C=CC(=O)NCCc2ccc(Cl)cc2Cl)ccc1OC(F)F
InChIInChI=1S/C19H17Cl2F2NO3/c1-26-17-10-12(2-6-16(17)27-19(22)23)3-7-18(25)24-9-8-13-4-5-14(20)11-15(13)21/h2-7,10-11,19H,8-9H2,1H3,(H,24,25)
InChIKeyBAZPBHXUTMWGAU-UHFFFAOYSA-N
XLogP4.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.25
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide 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

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 18204069
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
CID 2677238
3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-ethylbutyl)prop-2-enamide
CID 72687804
(E)-N-(3-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 2371149
(E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 26993496
(E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 33327682
3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 85461562
(E)-N-[3-[benzyl(methyl)amino]propyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 46532496
(Z)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 2341134
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 38573380
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-methylbutan-2-yl)prop-2-enamide
CID 2120392

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide (CID 3627150) is N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide is COc1cc(C=CC(=O)NCCc2ccc(Cl)cc2Cl)ccc1OC(F)F.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide?
The InChIKey is BAZPBHXUTMWGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F2NO3/c1-26-17-10-12(2-6-16(17)27-19(22)23)3-7-18(25)24-9-8-13-4-5-14(20)11-15(13)21/h2-7,10-11,19H,8-9H2,1H3,(H,24,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide has a molecular weight of 416.25 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 3627150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).