1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide

C14H18F2N2O — CID 115447485

IUPAC1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CCC1)c1cc(F)ccc1F
InChIInChI=1S/C14H18F2N2O/c1-9(11-7-10(15)3-4-12(11)16)18-13(19)14(8-17)5-2-6-14/h3-4,7,9H,2,5-6,8,17H2,1H3,(H,18,19)
InChIKeyCUIKCJCSFVVESJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.27
Rot. Bonds4

About 1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 115447485) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID115447485
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CCC1)c1cc(F)ccc1F
InChIInChI=1S/C14H18F2N2O/c1-9(11-7-10(15)3-4-12(11)16)18-13(19)14(8-17)5-2-6-14/h3-4,7,9H,2,5-6,8,17H2,1H3,(H,18,19)
InChIKeyCUIKCJCSFVVESJ-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115452365
1-(aminomethyl)-N-[1-(4-fluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 80588663
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115448423
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83072179
2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 64684210
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 55037857
1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115447690
1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115447604
1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115441667
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685506
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
CID 113311577

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide (CID 115447485) is 1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide is CC(NC(=O)C1(CN)CCC1)c1cc(F)ccc1F.
What is the InChIKey of 1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is CUIKCJCSFVVESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9(11-7-10(15)3-4-12(11)16)18-13(19)14(8-17)5-2-6-14/h3-4,7,9H,2,5-6,8,17H2,1H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115447485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).