3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide

C16H20F2N2O — CID 177352127

IUPAC3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide
SMILESO=C(CCC12CCC(CC1)N2)NCc1ccc(F)cc1F
InChIInChI=1S/C16H20F2N2O/c17-12-2-1-11(14(18)9-12)10-19-15(21)5-8-16-6-3-13(20-16)4-7-16/h1-2,9,13,20H,3-8,10H2,(H,19,21)
InChIKeyMFGGWQMSKZSLRM-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.65
Rot. Bonds5

About 3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide

3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide (PubChem CID 177352127) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide
PubChem CID177352127
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide
SMILESO=C(CCC12CCC(CC1)N2)NCc1ccc(F)cc1F
InChIInChI=1S/C16H20F2N2O/c17-12-2-1-11(14(18)9-12)10-19-15(21)5-8-16-6-3-13(20-16)4-7-16/h1-2,9,13,20H,3-8,10H2,(H,19,21)
InChIKeyMFGGWQMSKZSLRM-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide?
The IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide (CID 177352127) is 3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide is O=C(CCC12CCC(CC1)N2)NCc1ccc(F)cc1F.
What is the InChIKey of 3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide?
The InChIKey is MFGGWQMSKZSLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c17-12-2-1-11(14(18)9-12)10-19-15(21)5-8-16-6-3-13(20-16)4-7-16/h1-2,9,13,20H,3-8,10H2,(H,19,21).
What are the key properties of 3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide?
3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide has a molecular weight of 294.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-azabicyclo[2.2.1]heptan-1-yl)-N-[(2,4-difluorophenyl)methyl]propanamide is sourced from PubChem (CID 177352127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).