1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide

C14H17F2NO — CID 84596495

IUPAC1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide
SMILESCCN(C)C(=O)C1(c2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H17F2NO/c1-3-17(2)13(18)14(7-4-8-14)11-6-5-10(15)9-12(11)16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyQHXOFGAAIJKAMU-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.86
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide

1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide (PubChem CID 84596495) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide
PubChem CID84596495
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide
SMILESCCN(C)C(=O)C1(c2ccc(F)cc2F)CCC1
InChIInChI=1S/C14H17F2NO/c1-3-17(2)13(18)14(7-4-8-14)11-6-5-10(15)9-12(11)16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyQHXOFGAAIJKAMU-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Spiro-carboxamide scaffold, 12
CID 44143298

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide (CID 84596495) is 1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide is CCN(C)C(=O)C1(c2ccc(F)cc2F)CCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide?
The InChIKey is QHXOFGAAIJKAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-3-17(2)13(18)14(7-4-8-14)11-6-5-10(15)9-12(11)16/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide?
1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide has a molecular weight of 253.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-ethyl-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 84596495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).