N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide

C18H17ClN2 — CID 174108934

IUPACN'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide
SMILESC/C=C(\C=C(\Cl)N=C(N)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17ClN2/c1-2-14(15-9-5-3-6-10-15)13-17(19)21-18(20)16-11-7-4-8-12-16/h2-13H,1H3,(H2,20,21)/b14-2+,17-13-
InChIKeyGGYLCZULXUSADE-RYRPRJLFSA-N
MW296.80 g/mol
LogP4.58
Rot. Bonds4

About N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide

N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide (PubChem CID 174108934) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide
PubChem CID174108934
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC NameN'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide
SMILESC/C=C(\C=C(\Cl)N=C(N)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17ClN2/c1-2-14(15-9-5-3-6-10-15)13-17(19)21-18(20)16-11-7-4-8-12-16/h2-13H,1H3,(H2,20,21)/b14-2+,17-13-
InChIKeyGGYLCZULXUSADE-RYRPRJLFSA-N
XLogP4.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.58
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide
CID 145334764
[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene
CID 131995426
[amino(phenyl)methylidene]carbamic acid
CID 54409873
N'-[(Z)-ethylideneamino]benzenecarboximidamide
CID 23272286
N'-[(Z)-prop-1-enyl]benzenecarboximidamide
CID 137386486
(2E,4Z)-2-methyl-4-phenylhexa-2,4-dienoic acid
CID 170872983
methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane
CID 163826949
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-aminobenzenecarboximidamide
CID 5474957
2-phenylbut-2-enal;hydrate
CID 172778769
ethene;N'-methylbenzenecarboximidamide
CID 142294327
4,9-diphenylundeca-2,4,7,9-tetraen-2-amine
CID 123327967

Frequently Asked Questions

What is the IUPAC name of N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide?
The IUPAC name of N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide (CID 174108934) is N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide?
The canonical SMILES for N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide is C/C=C(\C=C(\Cl)N=C(N)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide?
The InChIKey is GGYLCZULXUSADE-RYRPRJLFSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-2-14(15-9-5-3-6-10-15)13-17(19)21-18(20)16-11-7-4-8-12-16/h2-13H,1H3,(H2,20,21)/b14-2+,17-13-.
What are the key properties of N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide?
N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide has a molecular weight of 296.80 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide is sourced from PubChem (CID 174108934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).