2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide

C19H18F3N3O3 — CID 40532050

IUPAC2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)N/N=C(\C)c2cccc(NC(=O)C(F)(F)F)c2)cc1
InChIInChI=1S/C19H18F3N3O3/c1-12(14-4-3-5-15(11-14)23-18(27)19(20,21)22)24-25-17(26)10-13-6-8-16(28-2)9-7-13/h3-9,11H,10H2,1-2H3,(H,23,27)(H,25,26)/b24-12+
InChIKeyBKALZQCUCHBXMJ-WYMPLXKRSA-N
MW393.37 g/mol
LogP3.28
Rot. Bonds6

About 2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide

2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide (PubChem CID 40532050) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide
PubChem CID40532050
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)N/N=C(\C)c2cccc(NC(=O)C(F)(F)F)c2)cc1
InChIInChI=1S/C19H18F3N3O3/c1-12(14-4-3-5-15(11-14)23-18(27)19(20,21)22)24-25-17(26)10-13-6-8-16(28-2)9-7-13/h3-9,11H,10H2,1-2H3,(H,23,27)(H,25,26)/b24-12+
InChIKeyBKALZQCUCHBXMJ-WYMPLXKRSA-N
XLogP3.28
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide 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

4-methoxy-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 1004731
N,N'-bis[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]pentanediamide
CID 3899858
3-(4-methoxyphenyl)-N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]propanamide
CID 19631671
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 24702333
2,2,2-trifluoro-N-[4-[(E)-N-[[2-(4-hydroxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 17337912
N-[3-[(E)-N-[[2-(3,4-dichlorophenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 17310964
N-[3-[(Z)-N-[(4-methoxyphenyl)methylcarbamothioylamino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 9176380
2-hydroxy-3-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 17126801
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
4-(dimethylamino)-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4057400
3,4-dichloro-N-[(Z)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 5430448

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide (CID 40532050) is 2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide is COc1ccc(CC(=O)N/N=C(\C)c2cccc(NC(=O)C(F)(F)F)c2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide?
The InChIKey is BKALZQCUCHBXMJ-WYMPLXKRSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-12(14-4-3-5-15(11-14)23-18(27)19(20,21)22)24-25-17(26)10-13-6-8-16(28-2)9-7-13/h3-9,11H,10H2,1-2H3,(H,23,27)(H,25,26)/b24-12+.
What are the key properties of 2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide?
2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide has a molecular weight of 393.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 40532050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).