N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide

C15H10BrF3N2O2 — CID 142499236

IUPACN-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(NN=Cc1cccc(Br)c1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10BrF3N2O2/c16-12-6-2-4-10(13(12)22)8-20-21-14(23)9-3-1-5-11(7-9)15(17,18)19/h1-8,22H,(H,21,23)
InChIKeyWRDJTHRPASGRQA-UHFFFAOYSA-N
MW387.16 g/mol
LogP3.94
Rot. Bonds3

About N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide

N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide (PubChem CID 142499236) has the molecular formula C15H10BrF3N2O2 and a molecular weight of 387.16 g/mol. Its IUPAC name is N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
PubChem CID142499236
Molecular FormulaC15H10BrF3N2O2
Molecular Weight387.16 g/mol
Exact Mass385.99
IUPAC NameN-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(NN=Cc1cccc(Br)c1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10BrF3N2O2/c16-12-6-2-4-10(13(12)22)8-20-21-14(23)9-3-1-5-11(7-9)15(17,18)19/h1-8,22H,(H,21,23)
InChIKeyWRDJTHRPASGRQA-UHFFFAOYSA-N
XLogP3.94
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.16
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499205
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 136758849
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137031731
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080586
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 135546449
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137066625
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080514
N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080251
N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211160
1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 135883000
N-[(3-methylthiophen-2-yl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 3750911
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide (CID 142499236) is N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide is O=C(NN=Cc1cccc(Br)c1O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The InChIKey is WRDJTHRPASGRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N2O2/c16-12-6-2-4-10(13(12)22)8-20-21-14(23)9-3-1-5-11(7-9)15(17,18)19/h1-8,22H,(H,21,23).
What are the key properties of N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide has a molecular weight of 387.16 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 142499236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).