2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide

C21H22FN3O4 — CID 26649194

IUPAC2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)C1CC1)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22FN3O4/c22-15-3-1-14(2-4-15)12-25(17-6-7-17)13-20(26)24-21(27)23-16-5-8-18-19(11-16)29-10-9-28-18/h1-5,8,11,17H,6-7,9-10,12-13H2,(H2,23,24,26,27)
InChIKeyGGBPVRVVPLQDRT-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.91
Rot. Bonds6

About 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide

2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide (PubChem CID 26649194) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
PubChem CID26649194
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)C1CC1)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22FN3O4/c22-15-3-1-14(2-4-15)12-25(17-6-7-17)13-20(26)24-21(27)23-16-5-8-18-19(11-16)29-10-9-28-18/h1-5,8,11,17H,6-7,9-10,12-13H2,(H2,23,24,26,27)
InChIKeyGGBPVRVVPLQDRT-UHFFFAOYSA-N
XLogP2.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide 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

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 27218401
2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 60503147
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 55537637
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 34124823
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643754
N-(3-chlorophenyl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 8872555
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 8905201
N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 34792575
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 51310778
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
CID 44997744
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573926

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide (CID 26649194) is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide is O=C(CN(Cc1ccc(F)cc1)C1CC1)NC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide?
The InChIKey is GGBPVRVVPLQDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c22-15-3-1-14(2-4-15)12-25(17-6-7-17)13-20(26)24-21(27)23-16-5-8-18-19(11-16)29-10-9-28-18/h1-5,8,11,17H,6-7,9-10,12-13H2,(H2,23,24,26,27).
What are the key properties of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide?
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide has a molecular weight of 399.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide is sourced from PubChem (CID 26649194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).