(Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide

C16H22Cl2N4O — CID 143531717

IUPAC(Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide
SMILESC/C(=C/C(N)=N/CCN1CCOCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N4O/c1-12(21-15-3-2-13(17)11-14(15)18)10-16(19)20-4-5-22-6-8-23-9-7-22/h2-3,10-11,21H,4-9H2,1H3,(H2,19,20)/b12-10-
InChIKeyNECYJDWBLOUWON-BENRWUELSA-N
MW357.29 g/mol
LogP3.00
Rot. Bonds6

About (Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide

(Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide (PubChem CID 143531717) has the molecular formula C16H22Cl2N4O and a molecular weight of 357.29 g/mol. Its IUPAC name is (Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide
PubChem CID143531717
Molecular FormulaC16H22Cl2N4O
Molecular Weight357.29 g/mol
Exact Mass356.12
IUPAC Name(Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide
SMILESC/C(=C/C(N)=N/CCN1CCOCC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N4O/c1-12(21-15-3-2-13(17)11-14(15)18)10-16(19)20-4-5-22-6-8-23-9-7-22/h2-3,10-11,21H,4-9H2,1H3,(H2,19,20)/b12-10-
InChIKeyNECYJDWBLOUWON-BENRWUELSA-N
XLogP3.00
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide?
The IUPAC name of (Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide (CID 143531717) is (Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide.
What is the SMILES notation for (Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide?
The canonical SMILES for (Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide is C/C(=C/C(N)=N/CCN1CCOCC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide?
The InChIKey is NECYJDWBLOUWON-BENRWUELSA-N. The full InChI is InChI=1S/C16H22Cl2N4O/c1-12(21-15-3-2-13(17)11-14(15)18)10-16(19)20-4-5-22-6-8-23-9-7-22/h2-3,10-11,21H,4-9H2,1H3,(H2,19,20)/b12-10-.
What are the key properties of (Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide?
(Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide has a molecular weight of 357.29 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,4-dichloroanilino)-N'-(2-morpholin-4-ylethyl)but-2-enimidamide is sourced from PubChem (CID 143531717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).