2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide

C14H20BrNO — CID 134860327

IUPAC2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide
SMILESCc1cccc(Br)c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H20BrNO/c1-9(2)16(10(3)4)14(17)13-11(5)7-6-8-12(13)15/h6-10H,1-5H3
InChIKeyXWPXKJBFMFHEAA-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.02
Rot. Bonds3

About 2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide

2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide (PubChem CID 134860327) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide
PubChem CID134860327
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide
SMILESCc1cccc(Br)c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H20BrNO/c1-9(2)16(10(3)4)14(17)13-11(5)7-6-8-12(13)15/h6-10H,1-5H3
InChIKeyXWPXKJBFMFHEAA-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide (CID 134860327) is 2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide is Cc1cccc(Br)c1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide?
The InChIKey is XWPXKJBFMFHEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9(2)16(10(3)4)14(17)13-11(5)7-6-8-12(13)15/h6-10H,1-5H3.
What are the key properties of 2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide?
2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide has a molecular weight of 298.22 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 134860327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).