N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide

C14H18F2N2O — CID 105416225

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide
SMILESCN(C)C1(CNC(=O)c2cccc(F)c2F)CCC1
InChIInChI=1S/C14H18F2N2O/c1-18(2)14(7-4-8-14)9-17-13(19)10-5-3-6-11(15)12(10)16/h3,5-6H,4,7-9H2,1-2H3,(H,17,19)
InChIKeyJDHUVYSUIIIIOS-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.18
Rot. Bonds4

About N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide (PubChem CID 105416225) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide
PubChem CID105416225
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide
SMILESCN(C)C1(CNC(=O)c2cccc(F)c2F)CCC1
InChIInChI=1S/C14H18F2N2O/c1-18(2)14(7-4-8-14)9-17-13(19)10-5-3-6-11(15)12(10)16/h3,5-6H,4,7-9H2,1-2H3,(H,17,19)
InChIKeyJDHUVYSUIIIIOS-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide
CID 105419225
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide
CID 83107917
4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
CID 18165179
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 105417100
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445182
2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide
CID 18165149
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide (CID 105416225) is N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide is CN(C)C1(CNC(=O)c2cccc(F)c2F)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide?
The InChIKey is JDHUVYSUIIIIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-18(2)14(7-4-8-14)9-17-13(19)10-5-3-6-11(15)12(10)16/h3,5-6H,4,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide is sourced from PubChem (CID 105416225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).