6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide

C13H9BrF3NO — CID 115283099

IUPAC6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H9BrF3NO/c14-11-4-3-8-5-10(2-1-9(8)6-11)12(19)18-7-13(15,16)17/h1-6H,7H2,(H,18,19)
InChIKeyNPDKHTAQIOXESK-UHFFFAOYSA-N
MW332.12 g/mol
LogP3.89
Rot. Bonds2

About 6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide

6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide (PubChem CID 115283099) has the molecular formula C13H9BrF3NO and a molecular weight of 332.12 g/mol. Its IUPAC name is 6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
PubChem CID115283099
Molecular FormulaC13H9BrF3NO
Molecular Weight332.12 g/mol
Exact Mass330.98
IUPAC Name6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H9BrF3NO/c14-11-4-3-8-5-10(2-1-9(8)6-11)12(19)18-7-13(15,16)17/h1-6H,7H2,(H,18,19)
InChIKeyNPDKHTAQIOXESK-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(6-bromonaphthalene-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 115353673
4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103830485
1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115701817
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
6-bromo-N-carbamoylnaphthalene-2-carboxamide
CID 115354574
4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 47102738
6-bromo-N-but-3-enylnaphthalene-2-carboxamide
CID 113465704
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
CID 113344700
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
CID 115353943

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide (CID 115283099) is 6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide is O=C(NCC(F)(F)F)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide?
The InChIKey is NPDKHTAQIOXESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO/c14-11-4-3-8-5-10(2-1-9(8)6-11)12(19)18-7-13(15,16)17/h1-6H,7H2,(H,18,19).
What are the key properties of 6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide?
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide has a molecular weight of 332.12 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 115283099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).