1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide

C14H18FNO2 — CID 110466100

IUPAC1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(CCO)C(=O)C1(c2ccccc2F)CCC1
InChIInChI=1S/C14H18FNO2/c1-16(9-10-17)13(18)14(7-4-8-14)11-5-2-3-6-12(11)15/h2-3,5-6,17H,4,7-10H2,1H3
InChIKeySRZQGSMVIPCNNO-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.70
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide

1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 110466100) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide
PubChem CID110466100
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(CCO)C(=O)C1(c2ccccc2F)CCC1
InChIInChI=1S/C14H18FNO2/c1-16(9-10-17)13(18)14(7-4-8-14)11-5-2-3-6-12(11)15/h2-3,5-6,17H,4,7-10H2,1H3
InChIKeySRZQGSMVIPCNNO-UHFFFAOYSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide (CID 110466100) is 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide is CN(CCO)C(=O)C1(c2ccccc2F)CCC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is SRZQGSMVIPCNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16(9-10-17)13(18)14(7-4-8-14)11-5-2-3-6-12(11)15/h2-3,5-6,17H,4,7-10H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide?
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 110466100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).