(1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide

C17H13F3N6O — CID 172978763

IUPAC(1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N6O/c18-17(19,20)11-7-5-10(6-8-11)16(27)24-12-3-1-2-4-13(12)25-26-14(9-21)15(22)23/h1-8,25H,(H3,22,23)(H,24,27)/b26-14+
InChIKeyKCOJABFGXCNTPT-VULFUBBASA-N
MW374.33 g/mol
LogP3.19
Rot. Bonds5

About (1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide

(1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide (PubChem CID 172978763) has the molecular formula C17H13F3N6O and a molecular weight of 374.33 g/mol. Its IUPAC name is (1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide
PubChem CID172978763
Molecular FormulaC17H13F3N6O
Molecular Weight374.33 g/mol
Exact Mass374.11
IUPAC Name(1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N6O/c18-17(19,20)11-7-5-10(6-8-11)16(27)24-12-3-1-2-4-13(12)25-26-14(9-21)15(22)23/h1-8,25H,(H3,22,23)(H,24,27)/b26-14+
InChIKeyKCOJABFGXCNTPT-VULFUBBASA-N
XLogP3.19
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', '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'}

Analyze (1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172931881
(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172976781
(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide
CID 172980468
(1Z)-2-amino-2-imino-N-[[3-(trifluoromethyl)dibenzo-p-dioxin-1-yl]amino]ethanimidoyl cyanide
CID 172979370
(1Z)-2-amino-N-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)anilino]-2-iminoethanimidoyl cyanide
CID 172978790
2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-6-fluorobenzoic acid
CID 172980449
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
(1Z)-2-amino-2-imino-N-[2-(pyridin-2-ylcarbamoyl)anilino]ethanimidoyl cyanide
CID 172977946
(1Z)-2-amino-N-[3-chloro-2-hydroxy-5-(trifluoromethyl)anilino]-2-iminoethanimidoyl cyanide
CID 172976861
(1Z)-2-amino-N-[4-fluoro-2-(trifluoromethyl)anilino]-2-iminoethanimidoyl cyanide
CID 172931626
(1Z)-2-amino-2-imino-N-(2-propan-2-yloxyanilino)ethanimidoyl cyanide
CID 172976119
(1Z)-2-amino-N-[3-bromo-2-methyl-5-(trifluoromethyl)anilino]-2-iminoethanimidoyl cyanide
CID 172978163

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide (CID 172978763) is (1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide?
The InChIKey is KCOJABFGXCNTPT-VULFUBBASA-N. The full InChI is InChI=1S/C17H13F3N6O/c18-17(19,20)11-7-5-10(6-8-11)16(27)24-12-3-1-2-4-13(12)25-26-14(9-21)15(22)23/h1-8,25H,(H3,22,23)(H,24,27)/b26-14+.
What are the key properties of (1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide?
(1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide has a molecular weight of 374.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-imino-N-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]ethanimidoyl cyanide is sourced from PubChem (CID 172978763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).