4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide

C17H25BrN2O2 — CID 67773096

IUPAC4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide
SMILESCC(C)C(CN1CC(C)(O)C1)N(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O2/c1-12(2)15(9-20-10-17(3,22)11-20)19(4)16(21)13-5-7-14(18)8-6-13/h5-8,12,15,22H,9-11H2,1-4H3
InChIKeyBZPZXNNQNFFVCN-UHFFFAOYSA-N
MW369.30 g/mol
LogP2.61
Rot. Bonds5

About 4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide

4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide (PubChem CID 67773096) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide
PubChem CID67773096
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Name4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide
SMILESCC(C)C(CN1CC(C)(O)C1)N(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O2/c1-12(2)15(9-20-10-17(3,22)11-20)19(4)16(21)13-5-7-14(18)8-6-13/h5-8,12,15,22H,9-11H2,1-4H3
InChIKeyBZPZXNNQNFFVCN-UHFFFAOYSA-N
XLogP2.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Bromophenyl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6464386
4-Bromo-N-isobutyl-N-(1-methyl-1-aza-spiro[4.5]dec-6-yl)-benzamide
CID 14548238
4-bromo-N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 2650230
4-bromo-N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 8017183
4-bromo-N-butyl-N-ethylbenzamide
CID 2163974
N-Methyl U-47931E
CID 95560661
1-(4-Bromobenzoyl)-2-methylpiperidine
CID 2839181
4-Bromo-N,N-diisopropylbenzamide
CID 3616988
Benzamide, N,N-dibutyl-4-bromo-
CID 533145
1-(4-Bromobenzoyl)-4-methylpiperazine
CID 4464352
1-[4-(4-Bromobenzoyl)piperazin-1-yl]propan-1-one
CID 53562097
Benzamide, 4-bromo-N-ethyl-N-propyl-
CID 43243426

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide?
The IUPAC name of 4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide (CID 67773096) is 4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide is CC(C)C(CN1CC(C)(O)C1)N(C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide?
The InChIKey is BZPZXNNQNFFVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-12(2)15(9-20-10-17(3,22)11-20)19(4)16(21)13-5-7-14(18)8-6-13/h5-8,12,15,22H,9-11H2,1-4H3.
What are the key properties of 4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide?
4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide has a molecular weight of 369.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide is sourced from PubChem (CID 67773096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).