N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide

C26H28FN3O2 — CID 39994248

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C26H28FN3O2/c1-3-30(4-2)18-22-9-6-5-8-21(22)17-28-25(31)20-10-7-11-24(16-20)29-26(32)19-12-14-23(27)15-13-19/h5-16H,3-4,17-18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyVINBNLJQGNXIFH-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.85
Rot. Bonds9

About N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide (PubChem CID 39994248) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
PubChem CID39994248
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C26H28FN3O2/c1-3-30(4-2)18-22-9-6-5-8-21(22)17-28-25(31)20-10-7-11-24(16-20)29-26(32)19-12-14-23(27)15-13-19/h5-16H,3-4,17-18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyVINBNLJQGNXIFH-UHFFFAOYSA-N
XLogP4.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]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

Avacopan
CID 49841217
Mozavaptan
CID 119369
Dpc-168
CID 11227406
Grl-0617
CID 24941262
T-226296
CID 9865843
2-Toluanilide
CID 23466
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
N-1-Naphthylbenzamide
CID 69448
3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide
CID 3146924
N-(4-fluorophenyl)naphthalene-1-carboxamide
CID 532199
Mozavaptan Hydrochloride
CID 636389
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide (CID 39994248) is N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide is CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide?
The InChIKey is VINBNLJQGNXIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-3-30(4-2)18-22-9-6-5-8-21(22)17-28-25(31)20-10-7-11-24(16-20)29-26(32)19-12-14-23(27)15-13-19/h5-16H,3-4,17-18H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide has a molecular weight of 433.53 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 39994248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).