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

C15H20F2N2O — CID 81172216

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)CC1(CN)CCC1
InChIInChI=1S/C15H20F2N2O/c1-19(9-11-3-4-12(16)7-13(11)17)14(20)8-15(10-18)5-2-6-15/h3-4,7H,2,5-6,8-10,18H2,1H3
InChIKeyHSRVJUPTVKKDFO-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.44
Rot. Bonds5

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

2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide (PubChem CID 81172216) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
PubChem CID81172216
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)CC1(CN)CCC1
InChIInChI=1S/C15H20F2N2O/c1-19(9-11-3-4-12(16)7-13(11)17)14(20)8-15(10-18)5-2-6-15/h3-4,7H,2,5-6,8-10,18H2,1H3
InChIKeyHSRVJUPTVKKDFO-UHFFFAOYSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide
CID 115272670
2-cyclopentyl-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 134046668
1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119278393
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115183542
2-[1-(aminomethyl)cyclobutyl]-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 81173080
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 104678002
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
2-[1-(aminomethyl)cyclobutyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 81172310
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide (CID 81172216) is 2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(F)cc1F)C(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide?
The InChIKey is HSRVJUPTVKKDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-19(9-11-3-4-12(16)7-13(11)17)14(20)8-15(10-18)5-2-6-15/h3-4,7H,2,5-6,8-10,18H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide has a molecular weight of 282.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 81172216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).