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

C13H18BrNO — CID 3616988

IUPAC4-bromo-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C13H18BrNO/c1-9(2)15(10(3)4)13(16)11-5-7-12(14)8-6-11/h5-10H,1-4H3
InChIKeyZRHGXOKPARSBQA-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.71
Rot. Bonds3

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

4-bromo-N,N-di(propan-2-yl)benzamide (PubChem CID 3616988) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-bromo-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N,N-di(propan-2-yl)benzamide
PubChem CID3616988
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-bromo-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C13H18BrNO/c1-9(2)15(10(3)4)13(16)11-5-7-12(14)8-6-11/h5-10H,1-4H3
InChIKeyZRHGXOKPARSBQA-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-bromo-N,N-di(propan-2-yl)benzamide (CID 3616988) is 4-bromo-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-bromo-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(Br)cc1)C(C)C.
What is the InChIKey of 4-bromo-N,N-di(propan-2-yl)benzamide?
The InChIKey is ZRHGXOKPARSBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(2)15(10(3)4)13(16)11-5-7-12(14)8-6-11/h5-10H,1-4H3.
What are the key properties of 4-bromo-N,N-di(propan-2-yl)benzamide?
4-bromo-N,N-di(propan-2-yl)benzamide has a molecular weight of 284.20 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 3616988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).