N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide

C20H20F2N4O — CID 50959414

IUPACN-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
SMILESCN(Cc1cccc(C(=O)Nc2c(F)cccc2F)c1)Cc1cnn(C)c1
InChIInChI=1S/C20H20F2N4O/c1-25(12-15-10-23-26(2)13-15)11-14-5-3-6-16(9-14)20(27)24-19-17(21)7-4-8-18(19)22/h3-10,13H,11-12H2,1-2H3,(H,24,27)
InChIKeyHDBGIHMBCOLSOL-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.58
Rot. Bonds6

About N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide

N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide (PubChem CID 50959414) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
PubChem CID50959414
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC NameN-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
SMILESCN(Cc1cccc(C(=O)Nc2c(F)cccc2F)c1)Cc1cnn(C)c1
InChIInChI=1S/C20H20F2N4O/c1-25(12-15-10-23-26(2)13-15)11-14-5-3-6-16(9-14)20(27)24-19-17(21)7-4-8-18(19)22/h3-10,13H,11-12H2,1-2H3,(H,24,27)
InChIKeyHDBGIHMBCOLSOL-UHFFFAOYSA-N
XLogP3.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]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

1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62643371
3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
CID 78839008
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
CID 28974181
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
1-(3-bromophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62613793
N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide
CID 103002972
3-bromo-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzohydrazide
CID 102774650
4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide
CID 45174095
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide
CID 60614085
N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438483
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide (CID 50959414) is N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide is CN(Cc1cccc(C(=O)Nc2c(F)cccc2F)c1)Cc1cnn(C)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide?
The InChIKey is HDBGIHMBCOLSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-25(12-15-10-23-26(2)13-15)11-14-5-3-6-16(9-14)20(27)24-19-17(21)7-4-8-18(19)22/h3-10,13H,11-12H2,1-2H3,(H,24,27).
What are the key properties of N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide?
N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide has a molecular weight of 370.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 50959414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).