[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid

C15H14F2N2O6 — CID 138610777

IUPAC[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid
SMILESO=C(O)NC12CC(NC(=O)COc3ccc4c(c3)OC(F)(F)O4)(C1)C2
InChIInChI=1S/C15H14F2N2O6/c16-15(17)24-9-2-1-8(3-10(9)25-15)23-4-11(20)18-13-5-14(6-13,7-13)19-12(21)22/h1-3,19H,4-7H2,(H,18,20)(H,21,22)
InChIKeyGHWREUIVJYRGQS-UHFFFAOYSA-N
MW356.28 g/mol
LogP1.45
Rot. Bonds5

About [3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid

[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid (PubChem CID 138610777) has the molecular formula C15H14F2N2O6 and a molecular weight of 356.28 g/mol. Its IUPAC name is [3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid.

Molecular Properties

Compound Name[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid
PubChem CID138610777
Molecular FormulaC15H14F2N2O6
Molecular Weight356.28 g/mol
Exact Mass356.08
IUPAC Name[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid
SMILESO=C(O)NC12CC(NC(=O)COc3ccc4c(c3)OC(F)(F)O4)(C1)C2
InChIInChI=1S/C15H14F2N2O6/c16-15(17)24-9-2-1-8(3-10(9)25-15)23-4-11(20)18-13-5-14(6-13,7-13)19-12(21)22/h1-3,19H,4-7H2,(H,18,20)(H,21,22)
InChIKeyGHWREUIVJYRGQS-UHFFFAOYSA-N
XLogP1.45
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid 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-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide
CID 175811413
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide
CID 145398566
3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-N-[5-(trifluoromethoxy)-2-pyridinyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 154698458
N-[4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 155092836
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide
CID 142585515
N-[3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-4-carboxamide
CID 159085178
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-fluorophenoxy)acetamide
CID 7817876
2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 7751375
N-[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]but-3-enyl]-2-(3,4-difluorophenoxy)acetamide
CID 138632388
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole
CID 167790526
N-[(4S)-5-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-4-hydroxy-2-bicyclo[3.1.1]hept-1-enyl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide
CID 155302842

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The IUPAC name of [3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid (CID 138610777) is [3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid.
What is the SMILES notation for [3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The canonical SMILES for [3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid is O=C(O)NC12CC(NC(=O)COc3ccc4c(c3)OC(F)(F)O4)(C1)C2.
What is the InChIKey of [3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The InChIKey is GHWREUIVJYRGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O6/c16-15(17)24-9-2-1-8(3-10(9)25-15)23-4-11(20)18-13-5-14(6-13,7-13)19-12(21)22/h1-3,19H,4-7H2,(H,18,20)(H,21,22).
What are the key properties of [3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid has a molecular weight of 356.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid is sourced from PubChem (CID 138610777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).