(1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide

C12H14FN5O2 — CID 172978296

IUPAC(1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1c(F)cccc1OCCOC
InChIInChI=1S/C12H14FN5O2/c1-19-5-6-20-10-4-2-3-8(13)11(10)18-17-9(7-14)12(15)16/h2-4,18H,5-6H2,1H3,(H3,15,16)/b17-9+
InChIKeyHDGSPJOMZDONSW-RQZCQDPDSA-N
MW279.28 g/mol
LogP1.08
Rot. Bonds7

About (1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide (PubChem CID 172978296) has the molecular formula C12H14FN5O2 and a molecular weight of 279.28 g/mol. Its IUPAC name is (1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide
PubChem CID172978296
Molecular FormulaC12H14FN5O2
Molecular Weight279.28 g/mol
Exact Mass279.11
IUPAC Name(1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1c(F)cccc1OCCOC
InChIInChI=1S/C12H14FN5O2/c1-19-5-6-20-10-4-2-3-8(13)11(10)18-17-9(7-14)12(15)16/h2-4,18H,5-6H2,1H3,(H3,15,16)/b17-9+
InChIKeyHDGSPJOMZDONSW-RQZCQDPDSA-N
XLogP1.08
TPSA116.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-amino-N-(2,6-difluoro-3-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172977132
(1Z)-2-amino-N-(2-cyano-6-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172977399
(1E)-2-amino-N-(2,6-dichloroanilino)-2-iminoethanimidoyl cyanide
CID 162440498
(1Z)-2-amino-N-(3-fluoro-4-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172980256
2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-6-fluorobenzoic acid
CID 172980449
ethyl 4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,5-difluorobenzoate
CID 172976485
(1Z)-2-amino-2-imino-N-[2-(2-morpholin-4-ylethoxy)anilino]ethanimidoyl cyanide
CID 172979089
methyl 2-[3-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]phenyl]acetate
CID 172976197
(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931872
2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3-bromobenzoic acid
CID 172931696
(1Z)-2-amino-2-imino-N-(2-methyl-6-nitroanilino)ethanimidoyl cyanide
CID 172931618
(1Z)-2-amino-N-[4-(dimethylamino)-2-methoxyanilino]-2-iminoethanimidoyl cyanide
CID 172977383

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide (CID 172978296) is (1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1c(F)cccc1OCCOC.
What is the InChIKey of (1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide?
The InChIKey is HDGSPJOMZDONSW-RQZCQDPDSA-N. The full InChI is InChI=1S/C12H14FN5O2/c1-19-5-6-20-10-4-2-3-8(13)11(10)18-17-9(7-14)12(15)16/h2-4,18H,5-6H2,1H3,(H3,15,16)/b17-9+.
What are the key properties of (1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide has a molecular weight of 279.28 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[2-fluoro-6-(2-methoxyethoxy)anilino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172978296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).