1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide

C14H19FN2O — CID 119500175

IUPAC1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
SMILESCNCCNC(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C14H19FN2O/c1-16-8-9-17-13(18)14(6-3-7-14)11-4-2-5-12(15)10-11/h2,4-5,10,16H,3,6-9H2,1H3,(H,17,18)
InChIKeyGQGGSEQAHKJMHG-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.58
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide (PubChem CID 119500175) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
PubChem CID119500175
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
SMILESCNCCNC(=O)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C14H19FN2O/c1-16-8-9-17-13(18)14(6-3-7-14)11-4-2-5-12(15)10-11/h2,4-5,10,16H,3,6-9H2,1H3,(H,17,18)
InChIKeyGQGGSEQAHKJMHG-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
N-[2-[(S)-tert-butylsulfinyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 95623396
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792
N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119547553
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 75381149
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919
N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 86922420

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide (CID 119500175) is 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide is CNCCNC(=O)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide?
The InChIKey is GQGGSEQAHKJMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-16-8-9-17-13(18)14(6-3-7-14)11-4-2-5-12(15)10-11/h2,4-5,10,16H,3,6-9H2,1H3,(H,17,18).
What are the key properties of 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 119500175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).