(1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide

C9H7BrN4O — CID 122231732

IUPAC(1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide
SMILESN#C/C(=N/Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C9H7BrN4O/c10-6-3-1-2-4-7(6)13-14-8(5-11)9(12)15/h1-4,13H,(H2,12,15)/b14-8-
InChIKeyYAZJQRSMQMTJTE-ZSOIEALJSA-N
MW267.09 g/mol
LogP1.23
Rot. Bonds3

About (1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide

(1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide (PubChem CID 122231732) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is (1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide
PubChem CID122231732
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name(1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide
SMILESN#C/C(=N/Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C9H7BrN4O/c10-6-3-1-2-4-7(6)13-14-8(5-11)9(12)15/h1-4,13H,(H2,12,15)/b14-8-
InChIKeyYAZJQRSMQMTJTE-ZSOIEALJSA-N
XLogP1.23
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)hydrazinyl]benzenesulfonic acid
CID 139142208
2-[(2-bromophenyl)hydrazinylidene]propanedinitrile
CID 779795
(1E)-N-(2-bromoanilino)-2-(butylamino)-2-oxoethanimidoyl cyanide
CID 87316598
(1E)-2-amino-N-(3-chloro-2-propylanilino)-2-oxoethanimidoyl cyanide
CID 14012285
(1Z)-2-amino-N-(3-bromo-2-methylanilino)-2-iminoethanimidoyl cyanide
CID 172980433
2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
CID 2814561
(1E)-2-amino-N-(2-chloro-4-iodoanilino)-2-oxoethanimidoyl cyanide
CID 87996914
2-amino-N-(2-chloro-4-iodoanilino)-2-oxoethanimidoyl cyanide
CID 86045353
(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172931881
(1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide
CID 6110450
(1E)-N-(3-acetylanilino)-2-amino-2-oxoethanimidoyl cyanide
CID 5392743
(1E)-2-amino-2-oxo-N-(4-pyrimidin-2-ylanilino)ethanimidoyl cyanide
CID 167211260

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide (CID 122231732) is (1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide is N#C/C(=N/Nc1ccccc1Br)C(N)=O.
What is the InChIKey of (1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide?
The InChIKey is YAZJQRSMQMTJTE-ZSOIEALJSA-N. The full InChI is InChI=1S/C9H7BrN4O/c10-6-3-1-2-4-7(6)13-14-8(5-11)9(12)15/h1-4,13H,(H2,12,15)/b14-8-.
What are the key properties of (1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide?
(1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide has a molecular weight of 267.09 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 122231732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).