N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide

C15H17BrN2O2 — CID 103278055

IUPACN-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2cc(Br)ccc2C#N)C1
InChIInChI=1S/C15H17BrN2O2/c1-2-20-13-5-10(6-13)7-15(19)18-14-8-12(16)4-3-11(14)9-17/h3-4,8,10,13H,2,5-7H2,1H3,(H,18,19)
InChIKeyYVIIPLMZHZYVBL-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.46
Rot. Bonds5

About N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide

N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103278055) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103278055
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2cc(Br)ccc2C#N)C1
InChIInChI=1S/C15H17BrN2O2/c1-2-20-13-5-10(6-13)7-15(19)18-14-8-12(16)4-3-11(14)9-17/h3-4,8,10,13H,2,5-7H2,1H3,(H,18,19)
InChIKeyYVIIPLMZHZYVBL-UHFFFAOYSA-N
XLogP3.46
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798290
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103163570
N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 138015104
N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103270141
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341
N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 104880211
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103163607
N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide
CID 104880413
2-bromo-5-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103162104
ethyl 4-(5-bromo-2-cyanoanilino)piperidine-1-carboxylate
CID 114901382
2-(3-ethoxycyclobutyl)-N-(2-iodophenyl)acetamide
CID 103163808

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide (CID 103278055) is N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)Nc2cc(Br)ccc2C#N)C1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is YVIIPLMZHZYVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-2-20-13-5-10(6-13)7-15(19)18-14-8-12(16)4-3-11(14)9-17/h3-4,8,10,13H,2,5-7H2,1H3,(H,18,19).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide?
N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 337.22 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103278055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).