N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide

C16H16F2N2O — CID 2804201

IUPACN-benzyl-4-(dimethylamino)-3,5-difluorobenzamide
SMILESCN(C)c1c(F)cc(C(=O)NCc2ccccc2)cc1F
InChIInChI=1S/C16H16F2N2O/c1-20(2)15-13(17)8-12(9-14(15)18)16(21)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyUPYNXALZZLEKIC-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.96
Rot. Bonds4

About N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide

N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide (PubChem CID 2804201) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-benzyl-4-(dimethylamino)-3,5-difluorobenzamide
PubChem CID2804201
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-benzyl-4-(dimethylamino)-3,5-difluorobenzamide
SMILESCN(C)c1c(F)cc(C(=O)NCc2ccccc2)cc1F
InChIInChI=1S/C16H16F2N2O/c1-20(2)15-13(17)8-12(9-14(15)18)16(21)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyUPYNXALZZLEKIC-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide 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

Procainamide
CID 4913
N-Acetylprocainamide
CID 4342
Procainamide Hydrochloride
CID 66068
Ameltolide
CID 13086
Acecainide Hydrochloride
CID 71417
4,4'-Bis(diethylamino)benzophenone
CID 66663
4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
CID 219020
4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide
CID 3994
4'-Methylbenzanilide
CID 68497
4-amino-N-benzylbenzamide
CID 577832
SK-7041
CID 6918714
SK-7068
CID 9799221

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide?
The IUPAC name of N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide (CID 2804201) is N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide.
What is the SMILES notation for N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide?
The canonical SMILES for N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide is CN(C)c1c(F)cc(C(=O)NCc2ccccc2)cc1F.
What is the InChIKey of N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide?
The InChIKey is UPYNXALZZLEKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-20(2)15-13(17)8-12(9-14(15)18)16(21)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide?
N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide has a molecular weight of 290.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(dimethylamino)-3,5-difluorobenzamide is sourced from PubChem (CID 2804201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).