(Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile

C11H6Cl2N4 — CID 2737740

IUPAC(Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile
SMILESN#C/C(N)=C(C#N)/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H6Cl2N4/c12-8-2-1-7(9(13)3-8)6-17-11(5-15)10(16)4-14/h1-3,6H,16H2/b11-10-,17-6+
InChIKeyURBKTPMIMOJNPL-JWUWQZCUSA-N
MW265.10 g/mol
LogP2.63
Rot. Bonds2

About (Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile

(Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile (PubChem CID 2737740) has the molecular formula C11H6Cl2N4 and a molecular weight of 265.10 g/mol. Its IUPAC name is (Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile.

Molecular Properties

Compound Name(Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile
PubChem CID2737740
Molecular FormulaC11H6Cl2N4
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name(Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile
SMILESN#C/C(N)=C(C#N)/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H6Cl2N4/c12-8-2-1-7(9(13)3-8)6-17-11(5-15)10(16)4-14/h1-3,6H,16H2/b11-10-,17-6+
InChIKeyURBKTPMIMOJNPL-JWUWQZCUSA-N
XLogP2.63
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-amino-3-[[2-chloro-4-(trifluoromethoxy)phenyl]methylideneamino]but-2-enedinitrile
CID 14210516
2-amino-3-[(2-chloro-6-fluorophenyl)methylideneamino]but-2-enedinitrile
CID 3736377
2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide
CID 2737937
(Z)-2-amino-3-[(3-methoxyphenyl)methylideneamino]but-2-enedinitrile
CID 70420350
4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]benzonitrile
CID 967403
1,2-bis[(2,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 140813801
1-(2,4-dichlorophenyl)-N-pent-2-ynylmethanimine
CID 18915507
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
2-cyano-N-[(2,4-dichlorophenyl)methylideneamino]-3-(dimethylamino)prop-2-enamide
CID 3711128
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine
CID 155130444
2-(4-bromophenyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
CID 3302131

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile?
The IUPAC name of (Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile (CID 2737740) is (Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile.
What is the SMILES notation for (Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile?
The canonical SMILES for (Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile is N#C/C(N)=C(C#N)/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile?
The InChIKey is URBKTPMIMOJNPL-JWUWQZCUSA-N. The full InChI is InChI=1S/C11H6Cl2N4/c12-8-2-1-7(9(13)3-8)6-17-11(5-15)10(16)4-14/h1-3,6H,16H2/b11-10-,17-6+.
What are the key properties of (Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile?
(Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile has a molecular weight of 265.10 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile is sourced from PubChem (CID 2737740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).