(E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide

C18H20ClN3 — CID 143072549

IUPAC(E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide
SMILESCCN(C)c1ccc(/C=C/C(N)=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3/c1-3-22(2)17-11-4-14(5-12-17)6-13-18(20)21-16-9-7-15(19)8-10-16/h4-13H,3H2,1-2H3,(H2,20,21)/b13-6+
InChIKeyMYOQVOLNEWDNHJ-AWNIVKPZSA-N
MW313.83 g/mol
LogP4.50
Rot. Bonds5

About (E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide

(E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide (PubChem CID 143072549) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is (E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide
PubChem CID143072549
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name(E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide
SMILESCCN(C)c1ccc(/C=C/C(N)=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3/c1-3-22(2)17-11-4-14(5-12-17)6-13-18(20)21-16-9-7-15(19)8-10-16/h4-13H,3H2,1-2H3,(H2,20,21)/b13-6+
InChIKeyMYOQVOLNEWDNHJ-AWNIVKPZSA-N
XLogP4.50
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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 (E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide?
The IUPAC name of (E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide (CID 143072549) is (E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide.
What is the SMILES notation for (E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide?
The canonical SMILES for (E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide is CCN(C)c1ccc(/C=C/C(N)=N/c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide?
The InChIKey is MYOQVOLNEWDNHJ-AWNIVKPZSA-N. The full InChI is InChI=1S/C18H20ClN3/c1-3-22(2)17-11-4-14(5-12-17)6-13-18(20)21-16-9-7-15(19)8-10-16/h4-13H,3H2,1-2H3,(H2,20,21)/b13-6+.
What are the key properties of (E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide?
(E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide has a molecular weight of 313.83 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide is sourced from PubChem (CID 143072549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).