N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide

C16H14ClN3 — CID 139455278

IUPACN-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide
SMILES[H]/N=C(/N=C(N)/C=C\c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3/c17-14-8-4-7-13(11-14)16(19)20-15(18)10-9-12-5-2-1-3-6-12/h1-11H,(H3,18,19,20)/b10-9-
InChIKeyCVIPSTOYDCJMNH-KTKRTIGZSA-N
MW283.76 g/mol
LogP3.74
Rot. Bonds3

About N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide

N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide (PubChem CID 139455278) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide
PubChem CID139455278
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC NameN-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide
SMILES[H]/N=C(/N=C(N)/C=C\c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3/c17-14-8-4-7-13(11-14)16(19)20-15(18)10-9-12-5-2-1-3-6-12/h1-11H,(H3,18,19,20)/b10-9-
InChIKeyCVIPSTOYDCJMNH-KTKRTIGZSA-N
XLogP3.74
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.74
H-Bond Donors ≤ 52
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

3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
CID 92859984
(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide
CID 59789908
3-chloro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571411
3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
CID 2166903
(Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide
CID 142915800
[3-(trifluoromethyl)phenyl] (Z)-4-amino-4-(benzenecarboximidoylimino)but-2-enimidothioate
CID 126658454
(E)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 33137658
(E)-3-(3-carbamimidoylphenyl)prop-2-enoic acid
CID 119091443
N'-(benzenecarboximidoyl)benzenecarboximidamide;1-bromo-3-methylbenzene
CID 142324241
fluorogold;2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide
CID 160906620
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
4-[2-(aminomethyl)-5-chlorophenyl]-N'-(benzenecarboximidoyl)benzenecarboximidamide
CID 145212338

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide?
The IUPAC name of N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide (CID 139455278) is N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide.
What is the SMILES notation for N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide?
The canonical SMILES for N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide is [H]/N=C(/N=C(N)/C=C\c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide?
The InChIKey is CVIPSTOYDCJMNH-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-14-8-4-7-13(11-14)16(19)20-15(18)10-9-12-5-2-1-3-6-12/h1-11H,(H3,18,19,20)/b10-9-.
What are the key properties of N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide?
N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide has a molecular weight of 283.76 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-phenylprop-2-enylidene]-3-chlorobenzenecarboximidamide is sourced from PubChem (CID 139455278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).