N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide

C16H23FN2O — CID 110484027

IUPACN-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C)CCN(C)C(=O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H23FN2O/c1-18(2)11-12-19(3)15(20)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8H,4,9-12H2,1-3H3
InChIKeyWBWSGYOZRLAAAF-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.27
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide

N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 110484027) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
PubChem CID110484027
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C)CCN(C)C(=O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H23FN2O/c1-18(2)11-12-19(3)15(20)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8H,4,9-12H2,1-3H3
InChIKeyWBWSGYOZRLAAAF-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 134005949
4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid
CID 119173402
1-(4-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide;N-methyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 143295541
N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide
CID 112760416
1-(4-fluorophenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxamide
CID 134002240
N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 115673284
1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one
CID 164836434
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methylcyclobutane-1-carboxamide
CID 110466100
N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 10250072
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 56509989
1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 6931371
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674265

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide (CID 110484027) is N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide is CN(C)CCN(C)C(=O)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is WBWSGYOZRLAAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-18(2)11-12-19(3)15(20)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8H,4,9-12H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 110484027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).