2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide

C16H21BrN2O2 — CID 170908368

IUPAC2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide
SMILESCC(=O)NC1CC(CC(=O)Nc2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C16H21BrN2O2/c1-10(20)18-14-8-11(16(14,2)3)9-15(21)19-13-6-4-12(17)5-7-13/h4-7,11,14H,8-9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWDTDQDQICHPKBC-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.33
Rot. Bonds4

About 2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide

2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide (PubChem CID 170908368) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide
PubChem CID170908368
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide
SMILESCC(=O)NC1CC(CC(=O)Nc2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C16H21BrN2O2/c1-10(20)18-14-8-11(16(14,2)3)9-15(21)19-13-6-4-12(17)5-7-13/h4-7,11,14H,8-9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWDTDQDQICHPKBC-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]acetamide
CID 115977543
3-[2-(4-iodoanilino)-2-oxoethyl]-N-(4-iodophenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 12546345
2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
N-(4-bromophenyl)-3-methylbut-3-enamide
CID 68925920
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491
N-(4-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021050
2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442287
N-(4-bromophenyl)-3-oxopropanamide
CID 175023149
2-[(2E,5S)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide
CID 135725374
N-(4-bromophenyl)-3-methylsulfanylpropanamide
CID 43082407
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide (CID 170908368) is 2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide is CC(=O)NC1CC(CC(=O)Nc2ccc(Br)cc2)C1(C)C.
What is the InChIKey of 2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide?
The InChIKey is WDTDQDQICHPKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-10(20)18-14-8-11(16(14,2)3)9-15(21)19-13-6-4-12(17)5-7-13/h4-7,11,14H,8-9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide?
2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide has a molecular weight of 353.26 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2,2-dimethylcyclobutyl)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 170908368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).