(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide

C20H19ClN4O2 — CID 108860494

IUPAC(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccccc1N1CCOCC1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN4O2/c21-16-4-3-5-17(12-16)24-20(26)15(13-22)14-23-18-6-1-2-7-19(18)25-8-10-27-11-9-25/h1-7,12,14,23H,8-11H2,(H,24,26)/b15-14-
InChIKeyLGTNMGUMVBNABN-PFONDFGASA-N
MW382.85 g/mol
LogP3.63
Rot. Bonds5

About (Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide

(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide (PubChem CID 108860494) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is (Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
PubChem CID108860494
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccccc1N1CCOCC1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN4O2/c21-16-4-3-5-17(12-16)24-20(26)15(13-22)14-23-18-6-1-2-7-19(18)25-8-10-27-11-9-25/h1-7,12,14,23H,8-11H2,(H,24,26)/b15-14-
InChIKeyLGTNMGUMVBNABN-PFONDFGASA-N
XLogP3.63
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-N-(3-acetylphenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
CID 108856802
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(2-morpholin-4-ylanilino)prop-2-enamide
CID 108827444
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
CID 108823717
(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(2-morpholin-4-ylanilino)prop-2-enamide
CID 108855310
(Z)-3-(2-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920704
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-hydroxyanilino)prop-2-enamide
CID 108860407
(Z)-3-(3-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920705
(Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propan-2-ylprop-2-enamide
CID 108829670
(Z)-3-(2-bromoanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920712
(Z)-3-(3-chloroanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816915
(Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide
CID 108820360
ethyl 2-[[(Z)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enoyl]amino]benzoate
CID 108827071

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide?
The IUPAC name of (Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide (CID 108860494) is (Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide is N#C/C(=C/Nc1ccccc1N1CCOCC1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide?
The InChIKey is LGTNMGUMVBNABN-PFONDFGASA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-16-4-3-5-17(12-16)24-20(26)15(13-22)14-23-18-6-1-2-7-19(18)25-8-10-27-11-9-25/h1-7,12,14,23H,8-11H2,(H,24,26)/b15-14-.
What are the key properties of (Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide?
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide has a molecular weight of 382.85 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide is sourced from PubChem (CID 108860494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).