(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide

C15H13ClN2 — CID 59789908

IUPAC(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide
SMILESNC(/C=C/c1ccccc1)=N\c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-11H,(H2,17,18)/b11-6+
InChIKeyUTXHBWPFNWTLKP-IZZDOVSWSA-N
MW256.74 g/mol
LogP4.04
Rot. Bonds3

About (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide

(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide (PubChem CID 59789908) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide
PubChem CID59789908
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide
SMILESNC(/C=C/c1ccccc1)=N\c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-11H,(H2,17,18)/b11-6+
InChIKeyUTXHBWPFNWTLKP-IZZDOVSWSA-N
XLogP4.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N'-(4-chlorophenyl)-3-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-enimidamide
CID 59789896
(E)-N'-(4-chlorophenyl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enimidamide
CID 143072549
(E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide
CID 11187118
N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide
CID 72562744
(E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate
CID 173457172
(2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine
CID 11723731
(E)-N,4-diphenylbut-3-en-2-imine
CID 5382915
N'-(4-chlorophenyl)-2-phenylethanimidamide
CID 10977705
(E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide
CID 59789851
(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride
CID 90280186
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide
CID 139455278

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide?
The IUPAC name of (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide (CID 59789908) is (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide.
What is the SMILES notation for (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide?
The canonical SMILES for (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide is NC(/C=C/c1ccccc1)=N\c1ccc(Cl)cc1.
What is the InChIKey of (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide?
The InChIKey is UTXHBWPFNWTLKP-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H13ClN2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-11H,(H2,17,18)/b11-6+.
What are the key properties of (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide?
(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide has a molecular weight of 256.74 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide is sourced from PubChem (CID 59789908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).