2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide

C14H18F2N2O — CID 81169710

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide
SMILESNCC1(CC(=O)NCc2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C14H18F2N2O/c15-11-3-2-10(6-12(11)16)8-18-13(19)7-14(9-17)4-1-5-14/h2-3,6H,1,4-5,7-9,17H2,(H,18,19)
InChIKeyXIOINPMLPHTEOO-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.10
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide (PubChem CID 81169710) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide
PubChem CID81169710
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide
SMILESNCC1(CC(=O)NCc2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C14H18F2N2O/c15-11-3-2-10(6-12(11)16)8-18-13(19)7-14(9-17)4-1-5-14/h2-3,6H,1,4-5,7-9,17H2,(H,18,19)
InChIKeyXIOINPMLPHTEOO-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107025917
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide
CID 115365544
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 81172247
1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 65465374
2-[1-(aminomethyl)cyclohexyl]-N-[(4-cyanophenyl)methyl]acetamide
CID 104677749
N-[(3,4-difluorophenyl)methyl]-2-isocyanoacetamide
CID 59099086
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
ethyl 3-[(3,4-difluorophenyl)methylamino]-3-oxopropanoate
CID 110474199
2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
N-[(3,4-difluorophenyl)methyl]-3-methylbutanamide
CID 110781014

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide (CID 81169710) is 2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide is NCC1(CC(=O)NCc2ccc(F)c(F)c2)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide?
The InChIKey is XIOINPMLPHTEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-11-3-2-10(6-12(11)16)8-18-13(19)7-14(9-17)4-1-5-14/h2-3,6H,1,4-5,7-9,17H2,(H,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide has a molecular weight of 268.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 81169710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).