N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide

C13H16Cl2N2 — CID 23469608

IUPACN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide
SMILESCC(C)C/C(N)=N\C=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2/c1-9(2)7-13(16)17-6-5-10-3-4-11(14)12(15)8-10/h3-6,8-9H,7H2,1-2H3,(H2,16,17)/b6-5+
InChIKeyNWBLSIKTMAVXMB-AATRIKPKSA-N
MW271.19 g/mol
LogP4.37
Rot. Bonds4

About N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide

N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide (PubChem CID 23469608) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide
PubChem CID23469608
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC NameN'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide
SMILESCC(C)C/C(N)=N\C=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2/c1-9(2)7-13(16)17-6-5-10-3-4-11(14)12(15)8-10/h3-6,8-9H,7H2,1-2H3,(H2,16,17)/b6-5+
InChIKeyNWBLSIKTMAVXMB-AATRIKPKSA-N
XLogP4.37
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 54.37
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

N'-[2-(3,4-dichlorophenyl)ethenyl]propanimidamide;hydrochloride
CID 74054388
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride
CID 23469646
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride
CID 23469591
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]cyclohexanecarboximidamide
CID 23469654
(E)-1-(3,4-dichlorophenyl)-4-methylpent-1-en-3-one
CID 6284815
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylbutanimidamide
CID 70566201
2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid
CID 22236669
(E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6176554
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
3-(3,4-dichlorophenyl)-2-methylprop-2-enal
CID 79331938
3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol
CID 79335243
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 896104

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide?
The IUPAC name of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide (CID 23469608) is N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide.
What is the SMILES notation for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide?
The canonical SMILES for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide is CC(C)C/C(N)=N\C=C\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide?
The InChIKey is NWBLSIKTMAVXMB-AATRIKPKSA-N. The full InChI is InChI=1S/C13H16Cl2N2/c1-9(2)7-13(16)17-6-5-10-3-4-11(14)12(15)8-10/h3-6,8-9H,7H2,1-2H3,(H2,16,17)/b6-5+.
What are the key properties of N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide?
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide has a molecular weight of 271.19 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide is sourced from PubChem (CID 23469608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).