4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide

C19H12BrF3N2O2 — CID 3603946

IUPAC4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(Br)cc1
InChIInChI=1S/C19H12BrF3N2O2/c20-15-6-4-12(5-7-15)18(26)25-24-11-16-8-9-17(27-16)13-2-1-3-14(10-13)19(21,22)23/h1-11H,(H,25,26)
InChIKeyCJHHUALEWFZOEW-UHFFFAOYSA-N
MW437.22 g/mol
LogP5.49
Rot. Bonds4

About 4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide

4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide (PubChem CID 3603946) has the molecular formula C19H12BrF3N2O2 and a molecular weight of 437.22 g/mol. Its IUPAC name is 4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
PubChem CID3603946
Molecular FormulaC19H12BrF3N2O2
Molecular Weight437.22 g/mol
Exact Mass436.00
IUPAC Name4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(Br)cc1
InChIInChI=1S/C19H12BrF3N2O2/c20-15-6-4-12(5-7-15)18(26)25-24-11-16-8-9-17(27-16)13-2-1-3-14(10-13)19(21,22)23/h1-11H,(H,25,26)
InChIKeyCJHHUALEWFZOEW-UHFFFAOYSA-N
XLogP5.49
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.22
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 40822435
3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 6882593
3-phenyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1H-pyrazole-5-carboxamide
CID 46925799
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 1421236
2-(2,4,6-tribromophenoxy)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 4030641
ethyl N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]carbamate
CID 6265172
4-[5-[[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
CID 4060449
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide
CID 5440764
2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 50929981
2-(2-chlorophenoxy)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 6894973
trans-(1S,2S)-2-phenyl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]cyclopropane-1-carboxamide
CID 11914327

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide (CID 3603946) is 4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide is O=C(NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide?
The InChIKey is CJHHUALEWFZOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF3N2O2/c20-15-6-4-12(5-7-15)18(26)25-24-11-16-8-9-17(27-16)13-2-1-3-14(10-13)19(21,22)23/h1-11H,(H,25,26).
What are the key properties of 4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide?
4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide has a molecular weight of 437.22 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 3603946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).