N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide

C14H18F2N2O — CID 136583342

IUPACN-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide
SMILESCN(C)C1CC(CNC(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H18F2N2O/c1-18(2)11-5-9(6-11)8-17-14(19)10-3-4-12(15)13(16)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyPAFQGATVQGRJHK-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.03
Rot. Bonds4

About N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide

N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide (PubChem CID 136583342) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide
PubChem CID136583342
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide
SMILESCN(C)C1CC(CNC(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H18F2N2O/c1-18(2)11-5-9(6-11)8-17-14(19)10-3-4-12(15)13(16)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyPAFQGATVQGRJHK-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 166289614
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
CID 64928823
N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide
CID 110445656
4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 114146256
N-[3-(cyclopropylamino)propyl]-3,4-difluorobenzamide
CID 43596480
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66006489
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045
N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
CID 79116508

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide (CID 136583342) is N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide is CN(C)C1CC(CNC(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide?
The InChIKey is PAFQGATVQGRJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-18(2)11-5-9(6-11)8-17-14(19)10-3-4-12(15)13(16)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,17,19).
What are the key properties of N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide?
N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide is sourced from PubChem (CID 136583342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).