3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide

C14H18F2N2O — CID 115267549

IUPAC3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
SMILESCNCC1(CNC(=O)c2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C14H18F2N2O/c1-17-8-14(5-2-6-14)9-18-13(19)10-3-4-11(15)12(16)7-10/h3-4,7,17H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyBQYMMLSESBKHOU-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.08
Rot. Bonds5

About 3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide

3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide (PubChem CID 115267549) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
PubChem CID115267549
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
SMILESCNCC1(CNC(=O)c2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C14H18F2N2O/c1-17-8-14(5-2-6-14)9-18-13(19)10-3-4-11(15)12(16)7-10/h3-4,7,17H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyBQYMMLSESBKHOU-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide 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)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267528
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide
CID 113294723
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758
4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide
CID 115267378
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide
CID 103969816
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
2-(3-fluorophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267551
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide (CID 115267549) is 3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide is CNCC1(CNC(=O)c2ccc(F)c(F)c2)CCC1.
What is the InChIKey of 3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide?
The InChIKey is BQYMMLSESBKHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-17-8-14(5-2-6-14)9-18-13(19)10-3-4-11(15)12(16)7-10/h3-4,7,17H,2,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of 3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide?
3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide has a molecular weight of 268.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide is sourced from PubChem (CID 115267549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).