3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide

C10H14F2N2O2 — CID 106385366

IUPAC3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESO=C(CCOCC(F)F)NCc1cc[nH]c1
InChIInChI=1S/C10H14F2N2O2/c11-9(12)7-16-4-2-10(15)14-6-8-1-3-13-5-8/h1,3,5,9,13H,2,4,6-7H2,(H,14,15)
InChIKeySLCRVHDZFFHDTD-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.30
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide

3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 106385366) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID106385366
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESO=C(CCOCC(F)F)NCc1cc[nH]c1
InChIInChI=1S/C10H14F2N2O2/c11-9(12)7-16-4-2-10(15)14-6-8-1-3-13-5-8/h1,3,5,9,13H,2,4,6-7H2,(H,14,15)
InChIKeySLCRVHDZFFHDTD-UHFFFAOYSA-N
XLogP1.30
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide 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-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
N-[[3-(chloromethyl)phenyl]methyl]-3-(2,2-difluoroethoxy)propanamide
CID 103212385
N-[[3-(bromomethyl)phenyl]methyl]-3-(2,2-difluoroethoxy)propanamide
CID 103212518
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947
4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110794136
5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384569
N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide
CID 106385371
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
CID 106384846
N-[(4-bromo-1,2-thiazol-5-yl)methyl]-3-(2,2-difluoroethoxy)propanamide
CID 136561590
N-(1H-pyrrol-3-ylmethyl)but-3-ynamide
CID 106385791
3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385943

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 106385366) is 3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide is O=C(CCOCC(F)F)NCc1cc[nH]c1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is SLCRVHDZFFHDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c11-9(12)7-16-4-2-10(15)14-6-8-1-3-13-5-8/h1,3,5,9,13H,2,4,6-7H2,(H,14,15).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide?
3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 232.23 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 106385366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).