(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide

C19H17Cl2N3O2 — CID 108825455

IUPAC(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide
SMILESCOc1ccc(C(C)N/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-12(13-3-6-16(26-2)7-4-13)23-11-14(10-22)19(25)24-18-9-15(20)5-8-17(18)21/h3-9,11-12,23H,1-2H3,(H,24,25)/b14-11-
InChIKeyGSEFJEILHPVOIX-KAMYIIQDSA-N
MW390.27 g/mol
LogP4.70
Rot. Bonds6

About (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide

(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide (PubChem CID 108825455) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide
PubChem CID108825455
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide
SMILESCOc1ccc(C(C)N/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-12(13-3-6-16(26-2)7-4-13)23-11-14(10-22)19(25)24-18-9-15(20)5-8-17(18)21/h3-9,11-12,23H,1-2H3,(H,24,25)/b14-11-
InChIKeyGSEFJEILHPVOIX-KAMYIIQDSA-N
XLogP4.70
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108828801
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide
CID 108825437
(Z)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[1-(3,4-dimethoxyphenyl)ethylamino]prop-2-enamide
CID 108849972
(Z)-3-(5-chloro-2-methylanilino)-2-cyano-N-[1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108847369
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108827319
(Z)-2-cyano-N-(2-methoxy-4-nitrophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108852574
(Z)-N-(2-chlorophenyl)-2-cyano-3-(1-phenylethylamino)prop-2-enamide
CID 108824317
3-[[(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enoyl]amino]propanoic acid
CID 108817625
(Z)-2-cyano-N-(4-methoxyphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]prop-2-enamide
CID 108828442
(Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide
CID 108820961
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(3-methoxypropylamino)prop-2-enamide
CID 108825426
(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840704

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide (CID 108825455) is (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide is COc1ccc(C(C)N/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide?
The InChIKey is GSEFJEILHPVOIX-KAMYIIQDSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-12(13-3-6-16(26-2)7-4-13)23-11-14(10-22)19(25)24-18-9-15(20)5-8-17(18)21/h3-9,11-12,23H,1-2H3,(H,24,25)/b14-11-.
What are the key properties of (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide?
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide has a molecular weight of 390.27 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide is sourced from PubChem (CID 108825455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).