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

C14H19FN2O — CID 81173083

IUPAC1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C1(N)CCC1
InChIInChI=1S/C14H19FN2O/c1-10(11-4-6-12(15)7-5-11)17(2)13(18)14(16)8-3-9-14/h4-7,10H,3,8-9,16H2,1-2H3
InChIKeyXNUZJYXGRDRQRL-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.23
Rot. Bonds3

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

1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 81173083) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
PubChem CID81173083
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C1(N)CCC1
InChIInChI=1S/C14H19FN2O/c1-10(11-4-6-12(15)7-5-11)17(2)13(18)14(16)8-3-9-14/h4-7,10H,3,8-9,16H2,1-2H3
InChIKeyXNUZJYXGRDRQRL-UHFFFAOYSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 115294203
2-(1-aminocyclobutyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 79854166
1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 65463841
1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 81169719
1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81172128
(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119275395
1-amino-N-(4-fluorophenyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119292825
2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 124671108
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 112812988
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide (CID 81173083) is 1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide is CC(c1ccc(F)cc1)N(C)C(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is XNUZJYXGRDRQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10(11-4-6-12(15)7-5-11)17(2)13(18)14(16)8-3-9-14/h4-7,10H,3,8-9,16H2,1-2H3.
What are the key properties of 1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 81173083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).