N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide

C15H17FN2O2 — CID 103163570

IUPACN-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2ccc(F)c(C#N)c2)C1
InChIInChI=1S/C15H17FN2O2/c1-2-20-13-5-10(6-13)7-15(19)18-12-3-4-14(16)11(8-12)9-17/h3-4,8,10,13H,2,5-7H2,1H3,(H,18,19)
InChIKeyMBKPGCCMMBTJGT-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.84
Rot. Bonds5

About N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide

N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103163570) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103163570
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2ccc(F)c(C#N)c2)C1
InChIInChI=1S/C15H17FN2O2/c1-2-20-13-5-10(6-13)7-15(19)18-12-3-4-14(16)11(8-12)9-17/h3-4,8,10,13H,2,5-7H2,1H3,(H,18,19)
InChIKeyMBKPGCCMMBTJGT-UHFFFAOYSA-N
XLogP2.84
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
N-(4-amino-3-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161664
N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103278055
N-(3-amino-4-ethylphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161581
2-bromo-5-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103162104
2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid
CID 103161737
2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 103166077
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103163607
2-(3-ethoxycyclobutyl)-N-(4-sulfamoylphenyl)acetamide
CID 103164408
3-bromo-5-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103162083
N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide
CID 66427683
N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955794

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide (CID 103163570) is N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)Nc2ccc(F)c(C#N)c2)C1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is MBKPGCCMMBTJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-2-20-13-5-10(6-13)7-15(19)18-12-3-4-14(16)11(8-12)9-17/h3-4,8,10,13H,2,5-7H2,1H3,(H,18,19).
What are the key properties of N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide?
N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 276.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103163570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).