2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide

C15H21BrN2O2 — CID 108571210

IUPAC2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide
SMILESCC(C)(C)CC(=O)NCCNC(=O)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)10-13(19)17-8-9-18-14(20)11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUXSCJYKSOQRAMX-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.73
Rot. Bonds5

About 2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide

2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide (PubChem CID 108571210) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide
PubChem CID108571210
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide
SMILESCC(C)(C)CC(=O)NCCNC(=O)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)10-13(19)17-8-9-18-14(20)11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUXSCJYKSOQRAMX-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571223
2-bromo-N-[2-(butanoylamino)ethyl]benzamide
CID 108571199
tert-butyl N-[3-[2-[(2-bromobenzoyl)amino]ethylamino]-3-oxopropyl]carbamate
CID 108537195
2-bromo-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108539128
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
1-(2-bromophenyl)-3,3-dimethylbutan-1-one
CID 71135058
2-bromo-N-(2-methylsulfanylethyl)benzamide
CID 51889373
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
2-bromo-N-(3-methylsulfinylpropyl)benzamide
CID 115619981
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95368019
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
CID 103879318

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide (CID 108571210) is 2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide is CC(C)(C)CC(=O)NCCNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide?
The InChIKey is UXSCJYKSOQRAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-15(2,3)10-13(19)17-8-9-18-14(20)11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide?
2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide has a molecular weight of 341.25 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide is sourced from PubChem (CID 108571210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).