2-bromo-N,N-dibutylbenzamide

C15H22BrNO — CID 2843235

IUPAC2-bromo-N,N-dibutylbenzamide
SMILESCCCCN(CCCC)C(=O)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-3-5-11-17(12-6-4-2)15(18)13-9-7-8-10-14(13)16/h7-10H,3-6,11-12H2,1-2H3
InChIKeyMSUBAUQKUIUIOU-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.49
Rot. Bonds7

About 2-bromo-N,N-dibutylbenzamide

2-bromo-N,N-dibutylbenzamide (PubChem CID 2843235) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-bromo-N,N-dibutylbenzamide.

Molecular Properties

Compound Name2-bromo-N,N-dibutylbenzamide
PubChem CID2843235
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-bromo-N,N-dibutylbenzamide
SMILESCCCCN(CCCC)C(=O)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-3-5-11-17(12-6-4-2)15(18)13-9-7-8-10-14(13)16/h7-10H,3-6,11-12H2,1-2H3
InChIKeyMSUBAUQKUIUIOU-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

Analyze 2-bromo-N,N-dibutylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-butyl-N-ethylbenzamide
CID 2164030
2-bromo-N-dodecyl-N-ethylbenzamide
CID 91728318
3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 113365401
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
2-methyl-N,N-dipentylbenzamide
CID 4576290
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
2-bromo-N-propyl-N-prop-2-ynylbenzamide
CID 78971034
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
N-(2-bromoethyl)-N-butyl-2-methylsulfanylbenzamide
CID 80659580
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-dibutylbenzamide?
The IUPAC name of 2-bromo-N,N-dibutylbenzamide (CID 2843235) is 2-bromo-N,N-dibutylbenzamide.
What is the SMILES notation for 2-bromo-N,N-dibutylbenzamide?
The canonical SMILES for 2-bromo-N,N-dibutylbenzamide is CCCCN(CCCC)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N,N-dibutylbenzamide?
The InChIKey is MSUBAUQKUIUIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-5-11-17(12-6-4-2)15(18)13-9-7-8-10-14(13)16/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of 2-bromo-N,N-dibutylbenzamide?
2-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 2-bromo-N,N-dibutylbenzamide is sourced from PubChem (CID 2843235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).