2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide

C17H13Cl2F3N4O3 — CID 90811498

IUPAC2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESN/C(=N\C=N\c1cc(Cl)c(O)c(Cl)c1)C(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H13Cl2F3N4O3/c18-12-5-10(6-13(19)14(12)27)25-8-26-15(23)16(28)24-7-9-2-1-3-11(4-9)29-17(20,21)22/h1-6,8,27H,7H2,(H,24,28)(H2,23,25,26)
InChIKeyBYXDERKAANYBNL-UHFFFAOYSA-N
MW449.22 g/mol
LogP3.93
Rot. Bonds5

About 2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide

2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 90811498) has the molecular formula C17H13Cl2F3N4O3 and a molecular weight of 449.22 g/mol. Its IUPAC name is 2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID90811498
Molecular FormulaC17H13Cl2F3N4O3
Molecular Weight449.22 g/mol
Exact Mass448.03
IUPAC Name2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESN/C(=N\C=N\c1cc(Cl)c(O)c(Cl)c1)C(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H13Cl2F3N4O3/c18-12-5-10(6-13(19)14(12)27)25-8-26-15(23)16(28)24-7-9-2-1-3-11(4-9)29-17(20,21)22/h1-6,8,27H,7H2,(H,24,28)(H2,23,25,26)
InChIKeyBYXDERKAANYBNL-UHFFFAOYSA-N
XLogP3.93
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.22
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]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

2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide
CID 160603297
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
(2Z,3Z)-2-(1-aminoethylidene)-6-methyl-N-[[3-[3-(trifluoromethoxy)phenoxy]phenyl]methyl]octa-3,5-dienamide
CID 143856539
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
1-(3-chloro-4-methylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3865446
cis-(1S,2R)-2-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 51412984
2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide
CID 106236424
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
1-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)but-3-enyl]urea
CID 169150598
1-(3-methyl-1-bicyclo[1.1.1]pentanyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 169150569
1-(3-fluorobut-3-enyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 169150586
2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 29182663

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide (CID 90811498) is 2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide is N/C(=N\C=N\c1cc(Cl)c(O)c(Cl)c1)C(=O)NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is BYXDERKAANYBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N4O3/c18-12-5-10(6-13(19)14(12)27)25-8-26-15(23)16(28)24-7-9-2-1-3-11(4-9)29-17(20,21)22/h1-6,8,27H,7H2,(H,24,28)(H2,23,25,26).
What are the key properties of 2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?
2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 449.22 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(3,5-dichloro-4-hydroxyphenyl)iminomethylimino]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 90811498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).