N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide

C19H20ClNO4 — CID 5226614

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C19H20ClNO4/c1-4-25-16-8-6-5-7-13(16)9-10-19(22)21-15-12-17(23-2)14(20)11-18(15)24-3/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyLXXRUFAQPVGDHG-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.41
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide (PubChem CID 5226614) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide
PubChem CID5226614
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C19H20ClNO4/c1-4-25-16-8-6-5-7-13(16)9-10-19(22)21-15-12-17(23-2)14(20)11-18(15)24-3/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyLXXRUFAQPVGDHG-UHFFFAOYSA-N
XLogP4.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)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

ethyl 5-chloro-4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-2-methoxybenzoate
CID 19229234
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734246
methyl 4-chloro-3-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 29454929
(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16594479
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1181184
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 4224141
3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4099886
3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 3562949
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84551958
N-(4-chloro-2,5-dimethoxyphenyl)but-2-enamide
CID 2839569

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide (CID 5226614) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide is CCOc1ccccc1C=CC(=O)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The InChIKey is LXXRUFAQPVGDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-4-25-16-8-6-5-7-13(16)9-10-19(22)21-15-12-17(23-2)14(20)11-18(15)24-3/h5-12H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide has a molecular weight of 361.83 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 5226614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).