2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide

C13H13BrF3NO — CID 103857135

IUPAC2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cccc(C(=O)N(CC(F)(F)F)C2CC2)c1Br
InChIInChI=1S/C13H13BrF3NO/c1-8-3-2-4-10(11(8)14)12(19)18(9-5-6-9)7-13(15,16)17/h2-4,9H,5-7H2,1H3
InChIKeyQZASCKYRHPIARB-UHFFFAOYSA-N
MW336.15 g/mol
LogP3.92
Rot. Bonds3

About 2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide

2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 103857135) has the molecular formula C13H13BrF3NO and a molecular weight of 336.15 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID103857135
Molecular FormulaC13H13BrF3NO
Molecular Weight336.15 g/mol
Exact Mass335.01
IUPAC Name2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cccc(C(=O)N(CC(F)(F)F)C2CC2)c1Br
InChIInChI=1S/C13H13BrF3NO/c1-8-3-2-4-10(11(8)14)12(19)18(9-5-6-9)7-13(15,16)17/h2-4,9H,5-7H2,1H3
InChIKeyQZASCKYRHPIARB-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 107983259
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CID 103853497
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide
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2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
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N-cyclopropyl-2-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
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N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
2-[(2-bromo-3-methylbenzoyl)-tert-butylamino]acetic acid
CID 107981503
N-cyclopropyl-6-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 115497708
2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554720
2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 103857135) is 2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1cccc(C(=O)N(CC(F)(F)F)C2CC2)c1Br.
What is the InChIKey of 2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is QZASCKYRHPIARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3NO/c1-8-3-2-4-10(11(8)14)12(19)18(9-5-6-9)7-13(15,16)17/h2-4,9H,5-7H2,1H3.
What are the key properties of 2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide?
2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 336.15 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 103857135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).