4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile

C14H9IN4 — CID 107787081

IUPAC4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Nc2ccc(I)cc2N)cc1C#N
InChIInChI=1S/C14H9IN4/c15-11-2-4-14(13(18)6-11)19-12-3-1-9(7-16)10(5-12)8-17/h1-6,19H,18H2
InChIKeyCTQUZJJOJCNYBB-UHFFFAOYSA-N
MW360.16 g/mol
LogP3.36
Rot. Bonds2

About 4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile

4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile (PubChem CID 107787081) has the molecular formula C14H9IN4 and a molecular weight of 360.16 g/mol. Its IUPAC name is 4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile
PubChem CID107787081
Molecular FormulaC14H9IN4
Molecular Weight360.16 g/mol
Exact Mass359.99
IUPAC Name4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Nc2ccc(I)cc2N)cc1C#N
InChIInChI=1S/C14H9IN4/c15-11-2-4-14(13(18)6-11)19-12-3-1-9(7-16)10(5-12)8-17/h1-6,19H,18H2
InChIKeyCTQUZJJOJCNYBB-UHFFFAOYSA-N
XLogP3.36
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-4-nitroanilino)benzene-1,2-dicarbonitrile
CID 107787174
2-amino-5-(2-chloro-5-iodoanilino)benzonitrile
CID 114258527
4-(2-amino-4-chloro-5-fluoroanilino)benzene-1,2-dicarbonitrile
CID 107787128
1-N-(3-bromo-4-iodophenyl)-4-iodobenzene-1,2-diamine
CID 114261880
5-(2-amino-4-fluoroanilino)-2-fluorobenzonitrile
CID 62318209
2-amino-5-(4-amino-3-cyanoanilino)benzonitrile
CID 162352092
4-iodo-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 66066450
5-(2-amino-4-iodoanilino)-2-methylisoindole-1,3-dione
CID 66066254
2-amino-5-(4-bromo-2-cyanoanilino)benzonitrile
CID 82702495
1-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-iodobenzene-1,2-diamine
CID 107335757
5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile
CID 103590292
2-(3-amino-4-cyanoanilino)-6-methylbenzonitrile
CID 107802648

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile?
The IUPAC name of 4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile (CID 107787081) is 4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile is N#Cc1ccc(Nc2ccc(I)cc2N)cc1C#N.
What is the InChIKey of 4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile?
The InChIKey is CTQUZJJOJCNYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN4/c15-11-2-4-14(13(18)6-11)19-12-3-1-9(7-16)10(5-12)8-17/h1-6,19H,18H2.
What are the key properties of 4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile?
4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile has a molecular weight of 360.16 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107787081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).