(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide

C19H20ClNO3 — CID 7924174

IUPAC(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C19H20ClNO3/c1-3-23-17-11-10-16(13-18(17)24-4-2)21-19(22)12-7-14-5-8-15(20)9-6-14/h5-13H,3-4H2,1-2H3,(H,21,22)/b12-7+
InChIKeyJAJXHROVISJKSF-KPKJPENVSA-N
MW345.83 g/mol
LogP4.79
Rot. Bonds7

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

(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide (PubChem CID 7924174) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide
PubChem CID7924174
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C19H20ClNO3/c1-3-23-17-11-10-16(13-18(17)24-4-2)21-19(22)12-7-14-5-8-15(20)9-6-14/h5-13H,3-4H2,1-2H3,(H,21,22)/b12-7+
InChIKeyJAJXHROVISJKSF-KPKJPENVSA-N
XLogP4.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.79
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

N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732824
N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5046140
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 94760326
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9102469
(E)-3-(3,4-diethoxyphenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide
CID 1178498
(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867707
(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 32519046
N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 41265772

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide (CID 7924174) is (E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide is CCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1OCC.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide?
The InChIKey is JAJXHROVISJKSF-KPKJPENVSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-3-23-17-11-10-16(13-18(17)24-4-2)21-19(22)12-7-14-5-8-15(20)9-6-14/h5-13H,3-4H2,1-2H3,(H,21,22)/b12-7+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide has a molecular weight of 345.83 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7924174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).