2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide

C12H14BrF3N2O2 — CID 115588198

IUPAC2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1ccc(Br)cc1NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H14BrF3N2O2/c1-7(11(19)17-6-12(14,15)16)18-9-5-8(13)3-4-10(9)20-2/h3-5,7,18H,6H2,1-2H3,(H,17,19)
InChIKeyBDLGSNXWBNAAHS-UHFFFAOYSA-N
MW355.15 g/mol
LogP2.94
Rot. Bonds5

About 2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide

2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115588198) has the molecular formula C12H14BrF3N2O2 and a molecular weight of 355.15 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115588198
Molecular FormulaC12H14BrF3N2O2
Molecular Weight355.15 g/mol
Exact Mass354.02
IUPAC Name2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1ccc(Br)cc1NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H14BrF3N2O2/c1-7(11(19)17-6-12(14,15)16)18-9-5-8(13)3-4-10(9)20-2/h3-5,7,18H,6H2,1-2H3,(H,17,19)
InChIKeyBDLGSNXWBNAAHS-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyanilino)-N-propan-2-ylpropanamide
CID 54968719
methyl 3-(5-bromo-2-methoxyanilino)-2-methylbutanoate
CID 79391329
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60533253
2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115570006
2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113511
N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide
CID 143251250
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 41397253
5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554999
2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43805994

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115588198) is 2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide is COc1ccc(Br)cc1NC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is BDLGSNXWBNAAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2O2/c1-7(11(19)17-6-12(14,15)16)18-9-5-8(13)3-4-10(9)20-2/h3-5,7,18H,6H2,1-2H3,(H,17,19).
What are the key properties of 2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 355.15 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115588198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).