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

C14H20BrNO2 — CID 54946264

IUPAC3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
SMILESCCC(C)N(CCOC)C(=O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-4-11(2)16(8-9-18-3)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyFYOCFXGAICAFPG-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.34
Rot. Bonds6

About 3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide

3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide (PubChem CID 54946264) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
PubChem CID54946264
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
SMILESCCC(C)N(CCOC)C(=O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-4-11(2)16(8-9-18-3)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyFYOCFXGAICAFPG-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

3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 55001467
6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889770
2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54945937
N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide
CID 63770200
3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 103841754
N-butan-2-yl-3-chloro-N-(2-methoxyethyl)-4-nitrobenzamide
CID 82778505
3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 104852335
3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 55970006
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-propan-2-ylbenzamide
CID 54997849
4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 103957082
2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 54999936
N-butan-2-yl-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62249354

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide (CID 54946264) is 3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide is CCC(C)N(CCOC)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide?
The InChIKey is FYOCFXGAICAFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-4-11(2)16(8-9-18-3)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of 3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide?
3-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 3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 54946264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).