N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide

C17H21F2NO2 — CID 71993437

IUPACN-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NC(c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C17H21F2NO2/c18-12-5-7-15(19)14(10-12)17(11-3-4-11)20-16(21)8-6-13-2-1-9-22-13/h5,7,10-11,13,17H,1-4,6,8-9H2,(H,20,21)
InChIKeyFRSSIJRCTSNOFU-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.49
Rot. Bonds6

About N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide

N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide (PubChem CID 71993437) has the molecular formula C17H21F2NO2 and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide
PubChem CID71993437
Molecular FormulaC17H21F2NO2
Molecular Weight309.36 g/mol
Exact Mass309.15
IUPAC NameN-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NC(c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C17H21F2NO2/c18-12-5-7-15(19)14(10-12)17(11-3-4-11)20-16(21)8-6-13-2-1-9-22-13/h5,7,10-11,13,17H,1-4,6,8-9H2,(H,20,21)
InChIKeyFRSSIJRCTSNOFU-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)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

methyl (2S)-2-(2,5-difluorophenyl)-2-[3-[(2R)-oxolan-2-yl]propanoylamino]acetate
CID 95383404
N-[(S)-cyclopropyl-(2,5-difluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 97010806
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-(oxolan-2-yl)propanamide
CID 71856408
[1-(2,5-difluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105219360
2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane
CID 65158065
3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 81362728
N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 65312487
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 82017155
N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 97083131
2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61048778
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898634

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide (CID 71993437) is N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)NC(c1cc(F)ccc1F)C1CC1.
What is the InChIKey of N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is FRSSIJRCTSNOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO2/c18-12-5-7-15(19)14(10-12)17(11-3-4-11)20-16(21)8-6-13-2-1-9-22-13/h5,7,10-11,13,17H,1-4,6,8-9H2,(H,20,21).
What are the key properties of N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide?
N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 309.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 71993437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).