3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide

C19H20ClN3 — CID 173307252

IUPAC3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide
SMILESC=CNC(Cl)=C(/C(N)=N/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20ClN3/c1-2-22-18(20)17(16-11-7-4-8-12-16)19(21)23-14-13-15-9-5-3-6-10-15/h2-12,22H,1,13-14H2,(H2,21,23)
InChIKeyHDTAGOHXXDPVIE-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.93
Rot. Bonds7

About 3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide

3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide (PubChem CID 173307252) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide.

Molecular Properties

Compound Name3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide
PubChem CID173307252
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide
SMILESC=CNC(Cl)=C(/C(N)=N/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20ClN3/c1-2-22-18(20)17(16-11-7-4-8-12-16)19(21)23-14-13-15-9-5-3-6-10-15/h2-12,22H,1,13-14H2,(H2,21,23)
InChIKeyHDTAGOHXXDPVIE-UHFFFAOYSA-N
XLogP3.93
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide?
The IUPAC name of 3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide (CID 173307252) is 3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide.
What is the SMILES notation for 3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide?
The canonical SMILES for 3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide is C=CNC(Cl)=C(/C(N)=N/CCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide?
The InChIKey is HDTAGOHXXDPVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c1-2-22-18(20)17(16-11-7-4-8-12-16)19(21)23-14-13-15-9-5-3-6-10-15/h2-12,22H,1,13-14H2,(H2,21,23).
What are the key properties of 3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide?
3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide has a molecular weight of 325.84 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-(ethenylamino)-2-phenyl-N'-(2-phenylethyl)prop-2-enimidamide is sourced from PubChem (CID 173307252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).