2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide

C14H20BrNO2 — CID 54945937

IUPAC2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
SMILESCCC(C)N(CCOC)C(=O)c1ccccc1Br
InChIInChI=1S/C14H20BrNO2/c1-4-11(2)16(9-10-18-3)14(17)12-7-5-6-8-13(12)15/h5-8,11H,4,9-10H2,1-3H3
InChIKeyLWLLHYMINONDHK-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.34
Rot. Bonds6

About 2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide

2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide (PubChem CID 54945937) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
PubChem CID54945937
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
SMILESCCC(C)N(CCOC)C(=O)c1ccccc1Br
InChIInChI=1S/C14H20BrNO2/c1-4-11(2)16(9-10-18-3)14(17)12-7-5-6-8-13(12)15/h5-8,11H,4,9-10H2,1-3H3
InChIKeyLWLLHYMINONDHK-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
N-butan-2-yl-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62249354
3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 103988730
3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54946264
6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889770
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513
2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 86982098
2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951561
2-bromo-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951741
(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515
3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 55001467
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 62243860

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide (CID 54945937) is 2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide is CCC(C)N(CCOC)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide?
The InChIKey is LWLLHYMINONDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-4-11(2)16(9-10-18-3)14(17)12-7-5-6-8-13(12)15/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide?
2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide has a molecular weight of 314.22 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 54945937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).