N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide

C16H12Br2F3N3O3 — CID 136653431

IUPACN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide
SMILESO=C(CNc1ccc(OC(F)(F)F)cc1)NN=Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H12Br2F3N3O3/c17-12-5-9(6-13(18)15(12)26)7-23-24-14(25)8-22-10-1-3-11(4-2-10)27-16(19,20)21/h1-7,22,26H,8H2,(H,24,25)
InChIKeyKEYYOPVKUCNZQU-UHFFFAOYSA-N
MW511.09 g/mol
LogP4.38
Rot. Bonds6

About N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide

N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide (PubChem CID 136653431) has the molecular formula C16H12Br2F3N3O3 and a molecular weight of 511.09 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide
PubChem CID136653431
Molecular FormulaC16H12Br2F3N3O3
Molecular Weight511.09 g/mol
Exact Mass508.92
IUPAC NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide
SMILESO=C(CNc1ccc(OC(F)(F)F)cc1)NN=Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H12Br2F3N3O3/c17-12-5-9(6-13(18)15(12)26)7-23-24-14(25)8-22-10-1-3-11(4-2-10)27-16(19,20)21/h1-7,22,26H,8H2,(H,24,25)
InChIKeyKEYYOPVKUCNZQU-UHFFFAOYSA-N
XLogP4.38
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.09
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]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

N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethyl)anilino]acetamide
CID 136628053
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 135923685
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135515696
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135419694
2-(4-tert-butylphenoxy)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 135643849
2-(2-chloroanilino)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 136649492
N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135788590
2-(4-bromoanilino)-N-[(Z)-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126370242
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 137022207
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 136659890
2-(3-bromoanilino)-N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136670369

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide (CID 136653431) is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide is O=C(CNc1ccc(OC(F)(F)F)cc1)NN=Cc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide?
The InChIKey is KEYYOPVKUCNZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2F3N3O3/c17-12-5-9(6-13(18)15(12)26)7-23-24-14(25)8-22-10-1-3-11(4-2-10)27-16(19,20)21/h1-7,22,26H,8H2,(H,24,25).
What are the key properties of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide?
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide has a molecular weight of 511.09 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-[4-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 136653431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).