N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide

C23H26FN3O2 — CID 55832005

IUPACN-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide
SMILESO=C(CCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)Nc1ccccc1F
InChIInChI=1S/C23H26FN3O2/c24-20-3-1-2-4-21(20)26-22(28)13-14-27(19-11-12-19)15-16-5-7-17(8-6-16)23(29)25-18-9-10-18/h1-8,18-19H,9-15H2,(H,25,29)(H,26,28)
InChIKeyIWBVDECXFHLCPU-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.71
Rot. Bonds9

About N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide (PubChem CID 55832005) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide
PubChem CID55832005
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide
SMILESO=C(CCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)Nc1ccccc1F
InChIInChI=1S/C23H26FN3O2/c24-20-3-1-2-4-21(20)26-22(28)13-14-27(19-11-12-19)15-16-5-7-17(8-6-16)23(29)25-18-9-10-18/h1-8,18-19H,9-15H2,(H,25,29)(H,26,28)
InChIKeyIWBVDECXFHLCPU-UHFFFAOYSA-N
XLogP3.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]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

3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide
CID 113223373
N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide
CID 34969253
1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109044796
3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 34205276
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(naphthalen-1-ylamino)-3-oxopropyl]amino]methyl]benzamide
CID 43065666
N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 78847973
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663
2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide
CID 111457011
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957
N-cyclopropyl-4-[[[2-(2,4-difluoroanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34943334
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide (CID 55832005) is N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide is O=C(CCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)Nc1ccccc1F.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide?
The InChIKey is IWBVDECXFHLCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-20-3-1-2-4-21(20)26-22(28)13-14-27(19-11-12-19)15-16-5-7-17(8-6-16)23(29)25-18-9-10-18/h1-8,18-19H,9-15H2,(H,25,29)(H,26,28).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide is sourced from PubChem (CID 55832005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).