(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide

C18H17ClN2O2 — CID 82153862

IUPAC(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C\C(=O)Nc2cccc(Cl)c2)cc1N
InChIInChI=1S/C18H17ClN2O2/c1-2-10-23-17-8-6-13(11-16(17)20)7-9-18(22)21-15-5-3-4-14(19)12-15/h2-9,11-12H,1,10,20H2,(H,21,22)/b9-7-
InChIKeyCDDRJZLAZQXRQH-CLFYSBASSA-N
MW328.80 g/mol
LogP4.14
Rot. Bonds6

About (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide

(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide (PubChem CID 82153862) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
PubChem CID82153862
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C\C(=O)Nc2cccc(Cl)c2)cc1N
InChIInChI=1S/C18H17ClN2O2/c1-2-10-23-17-8-6-13(11-16(17)20)7-9-18(22)21-15-5-3-4-14(19)12-15/h2-9,11-12H,1,10,20H2,(H,21,22)/b9-7-
InChIKeyCDDRJZLAZQXRQH-CLFYSBASSA-N
XLogP4.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 82153857
(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 67337824
(E)-N-(3-acetamidophenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26103193
(E)-N-(3-methoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26914384
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 94760326
(E)-N-(3-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 90682051
(E)-N-(3-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 45376337
N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 3477452
N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide
CID 67338697
methyl 4-[(E)-3-(3-chloroanilino)-3-oxoprop-1-enyl]benzoate
CID 40632540
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide
CID 82153029

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide (CID 82153862) is (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide is C=CCOc1ccc(/C=C\C(=O)Nc2cccc(Cl)c2)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide?
The InChIKey is CDDRJZLAZQXRQH-CLFYSBASSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-2-10-23-17-8-6-13(11-16(17)20)7-9-18(22)21-15-5-3-4-14(19)12-15/h2-9,11-12H,1,10,20H2,(H,21,22)/b9-7-.
What are the key properties of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide?
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide has a molecular weight of 328.80 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 82153862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).