2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide

C13H17BrFNO — CID 73212046

IUPAC2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1cccc(F)c1Br)C(C)C
InChIInChI=1S/C13H17BrFNO/c1-8(2)16(9(3)4)13(17)10-6-5-7-11(15)12(10)14/h5-9H,1-4H3
InChIKeyYZJWJKCTIAWPHR-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.85
Rot. Bonds3

About 2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide

2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide (PubChem CID 73212046) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide
PubChem CID73212046
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1cccc(F)c1Br)C(C)C
InChIInChI=1S/C13H17BrFNO/c1-8(2)16(9(3)4)13(17)10-6-5-7-11(15)12(10)14/h5-9H,1-4H3
InChIKeyYZJWJKCTIAWPHR-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide (CID 73212046) is 2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1cccc(F)c1Br)C(C)C.
What is the InChIKey of 2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide?
The InChIKey is YZJWJKCTIAWPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-8(2)16(9(3)4)13(17)10-6-5-7-11(15)12(10)14/h5-9H,1-4H3.
What are the key properties of 2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide?
2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide has a molecular weight of 302.19 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 73212046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).