4-bromo-N,N-dibutylbenzamide

C15H22BrNO — CID 533145

IUPAC4-bromo-N,N-dibutylbenzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-3-5-11-17(12-6-4-2)15(18)13-7-9-14(16)10-8-13/h7-10H,3-6,11-12H2,1-2H3
InChIKeyWQPWOINOXVZQKN-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.49
Rot. Bonds7

About 4-bromo-N,N-dibutylbenzamide

4-bromo-N,N-dibutylbenzamide (PubChem CID 533145) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-bromo-N,N-dibutylbenzamide.

Molecular Properties

Compound Name4-bromo-N,N-dibutylbenzamide
PubChem CID533145
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-bromo-N,N-dibutylbenzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-3-5-11-17(12-6-4-2)15(18)13-7-9-14(16)10-8-13/h7-10H,3-6,11-12H2,1-2H3
InChIKeyWQPWOINOXVZQKN-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.49
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-dibutylbenzamide?
The IUPAC name of 4-bromo-N,N-dibutylbenzamide (CID 533145) is 4-bromo-N,N-dibutylbenzamide.
What is the SMILES notation for 4-bromo-N,N-dibutylbenzamide?
The canonical SMILES for 4-bromo-N,N-dibutylbenzamide is CCCCN(CCCC)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N,N-dibutylbenzamide?
The InChIKey is WQPWOINOXVZQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-5-11-17(12-6-4-2)15(18)13-7-9-14(16)10-8-13/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of 4-bromo-N,N-dibutylbenzamide?
4-bromo-N,N-dibutylbenzamide has a molecular weight of 312.25 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dibutylbenzamide is sourced from PubChem (CID 533145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).