(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide

C26H28Cl2N2O5 — CID 2308680

IUPAC(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide
SMILESCOc1cc(NC(=O)C2=C(N3CCOCC3)/C(=C\c3ccc(Cl)cc3Cl)CC2)cc(OC)c1OC
InChIInChI=1S/C26H28Cl2N2O5/c1-32-22-14-19(15-23(33-2)25(22)34-3)29-26(31)20-7-5-17(24(20)30-8-10-35-11-9-30)12-16-4-6-18(27)13-21(16)28/h4,6,12-15H,5,7-11H2,1-3H3,(H,29,31)/b17-12-
InChIKeyHICXDHBGGCIGTH-ATVHPVEESA-N
MW519.43 g/mol
LogP5.42
Rot. Bonds7

About (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide

(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide (PubChem CID 2308680) has the molecular formula C26H28Cl2N2O5 and a molecular weight of 519.43 g/mol. Its IUPAC name is (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide.

Molecular Properties

Compound Name(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide
PubChem CID2308680
Molecular FormulaC26H28Cl2N2O5
Molecular Weight519.43 g/mol
Exact Mass518.14
IUPAC Name(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide
SMILESCOc1cc(NC(=O)C2=C(N3CCOCC3)/C(=C\c3ccc(Cl)cc3Cl)CC2)cc(OC)c1OC
InChIInChI=1S/C26H28Cl2N2O5/c1-32-22-14-19(15-23(33-2)25(22)34-3)29-26(31)20-7-5-17(24(20)30-8-10-35-11-9-30)12-16-4-6-18(27)13-21(16)28/h4,6,12-15H,5,7-11H2,1-3H3,(H,29,31)/b17-12-
InChIKeyHICXDHBGGCIGTH-ATVHPVEESA-N
XLogP5.42
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-2-oxoacetate
CID 5098689
1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine
CID 3416103
5-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide
CID 109276725
1-[[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylthiourea
CID 3641057
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114560
N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184851
(E)-3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155537493
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573864
5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205929
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 90544408
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide?
The IUPAC name of (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide (CID 2308680) is (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide.
What is the SMILES notation for (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide?
The canonical SMILES for (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide is COc1cc(NC(=O)C2=C(N3CCOCC3)/C(=C\c3ccc(Cl)cc3Cl)CC2)cc(OC)c1OC.
What is the InChIKey of (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide?
The InChIKey is HICXDHBGGCIGTH-ATVHPVEESA-N. The full InChI is InChI=1S/C26H28Cl2N2O5/c1-32-22-14-19(15-23(33-2)25(22)34-3)29-26(31)20-7-5-17(24(20)30-8-10-35-11-9-30)12-16-4-6-18(27)13-21(16)28/h4,6,12-15H,5,7-11H2,1-3H3,(H,29,31)/b17-12-.
What are the key properties of (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide?
(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide has a molecular weight of 519.43 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide is sourced from PubChem (CID 2308680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).