3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide

C22H26FN3O2 — CID 119047398

IUPAC3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNc2ccc(C3CC3)c(F)c2)c1
InChIInChI=1S/C22H26FN3O2/c1-3-26(4-2)22(28)16-6-5-7-18(12-16)25-21(27)14-24-17-10-11-19(15-8-9-15)20(23)13-17/h5-7,10-13,15,24H,3-4,8-9,14H2,1-2H3,(H,25,27)
InChIKeyVAYBEPHCZKTWPR-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.24
Rot. Bonds8

About 3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide

3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 119047398) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
PubChem CID119047398
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNc2ccc(C3CC3)c(F)c2)c1
InChIInChI=1S/C22H26FN3O2/c1-3-26(4-2)22(28)16-6-5-7-18(12-16)25-21(27)14-24-17-10-11-19(15-8-9-15)20(23)13-17/h5-7,10-13,15,24H,3-4,8-9,14H2,1-2H3,(H,25,27)
InChIKeyVAYBEPHCZKTWPR-UHFFFAOYSA-N
XLogP4.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide 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-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832743
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54832534
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017
N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54832527
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
CID 26712476
N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822926
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide (CID 119047398) is 3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)CNc2ccc(C3CC3)c(F)c2)c1.
What is the InChIKey of 3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is VAYBEPHCZKTWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-3-26(4-2)22(28)16-6-5-7-18(12-16)25-21(27)14-24-17-10-11-19(15-8-9-15)20(23)13-17/h5-7,10-13,15,24H,3-4,8-9,14H2,1-2H3,(H,25,27).
What are the key properties of 3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide?
3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 383.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 119047398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).