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

C18H17ClN2O2 — CID 82153857

IUPAC(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C\C(=O)Nc2ccccc2Cl)cc1N
InChIInChI=1S/C18H17ClN2O2/c1-2-11-23-17-9-7-13(12-15(17)20)8-10-18(22)21-16-6-4-3-5-14(16)19/h2-10,12H,1,11,20H2,(H,21,22)/b10-8-
InChIKeyXTOUQFALVHTVCW-NTMALXAHSA-N
MW328.80 g/mol
LogP4.14
Rot. Bonds6

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

(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide (PubChem CID 82153857) 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-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
PubChem CID82153857
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C\C(=O)Nc2ccccc2Cl)cc1N
InChIInChI=1S/C18H17ClN2O2/c1-2-11-23-17-9-7-13(12-15(17)20)8-10-18(22)21-16-6-4-3-5-14(16)19/h2-10,12H,1,11,20H2,(H,21,22)/b10-8-
InChIKeyXTOUQFALVHTVCW-NTMALXAHSA-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-(3-chlorophenyl)prop-2-enamide
CID 82153862
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679
(E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 39371944
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide
CID 82153029
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 2792142
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 94760326
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
CID 35371477

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide (CID 82153857) is (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide is C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2Cl)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide?
The InChIKey is XTOUQFALVHTVCW-NTMALXAHSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-2-11-23-17-9-7-13(12-15(17)20)8-10-18(22)21-16-6-4-3-5-14(16)19/h2-10,12H,1,11,20H2,(H,21,22)/b10-8-.
What are the key properties of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide?
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-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-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 82153857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).