2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide

C16H12BrF3N2O — CID 5050427

IUPAC2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1Br)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12BrF3N2O/c1-10(11-5-4-6-12(9-11)16(18,19)20)21-22-15(23)13-7-2-3-8-14(13)17/h2-9H,1H3,(H,22,23)
InChIKeyGJVODGCBOYWLKW-UHFFFAOYSA-N
MW385.18 g/mol
LogP4.62
Rot. Bonds3

About 2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide

2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide (PubChem CID 5050427) has the molecular formula C16H12BrF3N2O and a molecular weight of 385.18 g/mol. Its IUPAC name is 2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide
PubChem CID5050427
Molecular FormulaC16H12BrF3N2O
Molecular Weight385.18 g/mol
Exact Mass384.01
IUPAC Name2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1Br)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12BrF3N2O/c1-10(11-5-4-6-12(9-11)16(18,19)20)21-22-15(23)13-7-2-3-8-14(13)17/h2-9H,1H3,(H,22,23)
InChIKeyGJVODGCBOYWLKW-UHFFFAOYSA-N
XLogP4.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6084875
N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4836895
2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9016446
2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9016439
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
2-bromo-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6145272
2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137157108
4-[(2Z)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 6083934
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide
CID 7224842
1-ethyl-3-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]thiourea
CID 5147935
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide (CID 5050427) is 2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1Br)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide?
The InChIKey is GJVODGCBOYWLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2O/c1-10(11-5-4-6-12(9-11)16(18,19)20)21-22-15(23)13-7-2-3-8-14(13)17/h2-9H,1H3,(H,22,23).
What are the key properties of 2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide?
2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide has a molecular weight of 385.18 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 5050427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).