2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide

C15H21BrN2O2 — CID 112995172

IUPAC2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
SMILESCC(C)CCNC(=O)CNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-11(2)7-8-17-15(20)10-18-14(19)9-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeySOVBQXSLVRHMAQ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.27
Rot. Bonds7

About 2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide

2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide (PubChem CID 112995172) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
PubChem CID112995172
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
SMILESCC(C)CCNC(=O)CNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-11(2)7-8-17-15(20)10-18-14(19)9-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeySOVBQXSLVRHMAQ-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990658
2-(4-bromophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993255
2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide
CID 112789358
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide
CID 108951809
2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 66816834
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771442
2-(4-bromophenyl)-N-(3-chloro-4-methoxybutyl)acetamide
CID 114163211
2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502206
N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111428861
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide (CID 112995172) is 2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide is CC(C)CCNC(=O)CNC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
The InChIKey is SOVBQXSLVRHMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11(2)7-8-17-15(20)10-18-14(19)9-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112995172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).