N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide

C19H19Cl2NO3 — CID 5046140

IUPACN-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC
InChIInChI=1S/C19H19Cl2NO3/c1-3-24-17-9-5-13(11-18(17)25-4-2)6-10-19(23)22-14-7-8-15(20)16(21)12-14/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyLNAYXYYCHYZAQJ-UHFFFAOYSA-N
MW380.27 g/mol
LogP5.44
Rot. Bonds7

About N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide

N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide (PubChem CID 5046140) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
PubChem CID5046140
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC NameN-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC
InChIInChI=1S/C19H19Cl2NO3/c1-3-24-17-9-5-13(11-18(17)25-4-2)6-10-19(23)22-14-7-8-15(20)16(21)12-14/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyLNAYXYYCHYZAQJ-UHFFFAOYSA-N
XLogP5.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.27
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732824
(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide
CID 7924174
(E)-3-(3,4-diethoxyphenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide
CID 1178498
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
2-chloro-5-[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]-N-methylbenzamide
CID 55836267
N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 41265772
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 94760326
(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 1178503
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534909
(E)-N-(4-aminophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28854464

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide (CID 5046140) is N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide is CCOc1ccc(C=CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide?
The InChIKey is LNAYXYYCHYZAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-3-24-17-9-5-13(11-18(17)25-4-2)6-10-19(23)22-14-7-8-15(20)16(21)12-14/h5-12H,3-4H2,1-2H3,(H,22,23).
What are the key properties of N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide?
N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide has a molecular weight of 380.27 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 5046140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).