1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide

C12H14F2N2O — CID 80586877

IUPAC1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(F)cc2F)CCC1
InChIInChI=1S/C12H14F2N2O/c13-8-2-3-10(9(14)6-8)16-11(17)12(7-15)4-1-5-12/h2-3,6H,1,4-5,7,15H2,(H,16,17)
InChIKeyWEENPJNKLPSGHX-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.03
Rot. Bonds3

About 1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide (PubChem CID 80586877) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
PubChem CID80586877
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(F)cc2F)CCC1
InChIInChI=1S/C12H14F2N2O/c13-8-2-3-10(9(14)6-8)16-11(17)12(7-15)4-1-5-12/h2-3,6H,1,4-5,7,15H2,(H,16,17)
InChIKeyWEENPJNKLPSGHX-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013
1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide
CID 107625627
1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 115452488
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoic acid
CID 113312903
1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide
CID 82016106
1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide
CID 80587976
methyl 2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoate
CID 115452631
N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
1-N'-(2,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093639
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
CID 80599519
1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide
CID 113311601

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide (CID 80586877) is 1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide is NCC1(C(=O)Nc2ccc(F)cc2F)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is WEENPJNKLPSGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-8-2-3-10(9(14)6-8)16-11(17)12(7-15)4-1-5-12/h2-3,6H,1,4-5,7,15H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80586877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).