2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide

C14H17BrF3NO — CID 135057726

IUPAC2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)N(C(=O)c1ccc(C(F)(F)F)cc1Br)C(C)C
InChIInChI=1S/C14H17BrF3NO/c1-8(2)19(9(3)4)13(20)11-6-5-10(7-12(11)15)14(16,17)18/h5-9H,1-4H3
InChIKeyFHWJVZUYMDAOLX-UHFFFAOYSA-N
MW352.19 g/mol
LogP4.73
Rot. Bonds3

About 2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide

2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 135057726) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID135057726
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC Name2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)N(C(=O)c1ccc(C(F)(F)F)cc1Br)C(C)C
InChIInChI=1S/C14H17BrF3NO/c1-8(2)19(9(3)4)13(20)11-6-5-10(7-12(11)15)14(16,17)18/h5-9H,1-4H3
InChIKeyFHWJVZUYMDAOLX-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide (CID 135057726) is 2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide is CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1Br)C(C)C.
What is the InChIKey of 2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is FHWJVZUYMDAOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c1-8(2)19(9(3)4)13(20)11-6-5-10(7-12(11)15)14(16,17)18/h5-9H,1-4H3.
What are the key properties of 2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide?
2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 352.19 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-di(propan-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 135057726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).