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

C14H17BrFNO2 — CID 103270141

IUPACN-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2cc(F)ccc2Br)C1
InChIInChI=1S/C14H17BrFNO2/c1-2-19-11-5-9(6-11)7-14(18)17-13-8-10(16)3-4-12(13)15/h3-4,8-9,11H,2,5-7H2,1H3,(H,17,18)
InChIKeyKCRZCKDQBSCPBR-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.73
Rot. Bonds5

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

N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103270141) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103270141
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC NameN-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2cc(F)ccc2Br)C1
InChIInChI=1S/C14H17BrFNO2/c1-2-19-11-5-9(6-11)7-14(18)17-13-8-10(16)3-4-12(13)15/h3-4,8-9,11H,2,5-7H2,1H3,(H,17,18)
InChIKeyKCRZCKDQBSCPBR-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 138015104
2-bromo-5-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103162104
N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103278055
N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide
CID 103753688
2-(3-ethoxycyclobutyl)-N-(2-iodophenyl)acetamide
CID 103163808
N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107697268
N-(4-amino-3-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161664
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103279698
1-amino-N-(2-bromo-5-fluorophenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 107625694
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 103161884
2-acetamido-N-(2-bromo-5-fluorophenyl)acetamide
CID 103753391
2-(3-ethoxycyclobutyl)-N-(4-sulfamoylphenyl)acetamide
CID 103164408

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide (CID 103270141) is N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)Nc2cc(F)ccc2Br)C1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is KCRZCKDQBSCPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-2-19-11-5-9(6-11)7-14(18)17-13-8-10(16)3-4-12(13)15/h3-4,8-9,11H,2,5-7H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide?
N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 330.20 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103270141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).