(E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide

C19H18ClNO4 — CID 46462125

IUPAC(E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1
InChIInChI=1S/C19H18ClNO4/c1-2-23-14-6-3-13(4-7-14)5-8-19(22)21-16-12-18-17(11-15(16)20)24-9-10-25-18/h3-8,11-12H,2,9-10H2,1H3,(H,21,22)/b8-5+
InChIKeyWYYIPEPNBNSSTE-VMPITWQZSA-N
MW359.81 g/mol
LogP4.16
Rot. Bonds5

About (E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide

(E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 46462125) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is (E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID46462125
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Name(E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1
InChIInChI=1S/C19H18ClNO4/c1-2-23-14-6-3-13(4-7-14)5-8-19(22)21-16-12-18-17(11-15(16)20)24-9-10-25-18/h3-8,11-12H,2,9-10H2,1H3,(H,21,22)/b8-5+
InChIKeyWYYIPEPNBNSSTE-VMPITWQZSA-N
XLogP4.16
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227087
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4088773
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 7630611
N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 680257
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 7706455
(E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 9440326
N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 1186028
(E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16597699

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide (CID 46462125) is (E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1.
What is the InChIKey of (E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is WYYIPEPNBNSSTE-VMPITWQZSA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-2-23-14-6-3-13(4-7-14)5-8-19(22)21-16-12-18-17(11-15(16)20)24-9-10-25-18/h3-8,11-12H,2,9-10H2,1H3,(H,21,22)/b8-5+.
What are the key properties of (E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 359.81 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 46462125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).