1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide

C12H15FN2O — CID 81169719

IUPAC1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(N)CCC1)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-15(10-5-3-9(13)4-6-10)11(16)12(14)7-2-8-12/h3-6H,2,7-8,14H2,1H3
InChIKeyOWYXTNPTFBCVGX-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.67
Rot. Bonds2

About 1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide

1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 81169719) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
PubChem CID81169719
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(N)CCC1)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-15(10-5-3-9(13)4-6-10)11(16)12(14)7-2-8-12/h3-6H,2,7-8,14H2,1H3
InChIKeyOWYXTNPTFBCVGX-UHFFFAOYSA-N
XLogP1.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
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1-amino-N-methyl-N-phenylcyclopentane-1-carboxamide;hydrochloride
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1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
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CID 55141779
1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119706037
1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173083
N-(4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
CID 76930717
1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide
CID 65464094
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
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CID 119297970

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide (CID 81169719) is 1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1(N)CCC1)c1ccc(F)cc1.
What is the InChIKey of 1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is OWYXTNPTFBCVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-15(10-5-3-9(13)4-6-10)11(16)12(14)7-2-8-12/h3-6H,2,7-8,14H2,1H3.
What are the key properties of 1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide?
1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 81169719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).