(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide

C17H23F2NO4 — CID 97083129

IUPAC(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide
SMILESCOCCO[C@H](C)C(=O)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C17H23F2NO4/c1-12(24-10-9-22-2)16(21)20-17(5-7-23-8-6-17)14-4-3-13(18)11-15(14)19/h3-4,11-12H,5-10H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyDXMSOXYOQJUJPS-GFCCVEGCSA-N
MW343.37 g/mol
LogP2.14
Rot. Bonds7

About (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide

(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide (PubChem CID 97083129) has the molecular formula C17H23F2NO4 and a molecular weight of 343.37 g/mol. Its IUPAC name is (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide
PubChem CID97083129
Molecular FormulaC17H23F2NO4
Molecular Weight343.37 g/mol
Exact Mass343.16
IUPAC Name(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide
SMILESCOCCO[C@H](C)C(=O)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C17H23F2NO4/c1-12(24-10-9-22-2)16(21)20-17(5-7-23-8-6-17)14-4-3-13(18)11-15(14)19/h3-4,11-12H,5-10H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyDXMSOXYOQJUJPS-GFCCVEGCSA-N
XLogP2.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-N-(2-propan-2-yloxyethyl)oxan-4-amine
CID 53621829
(2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide
CID 97083128
(R)-5-Difluoromethyl-5-(2-fluoro-phenyl)-morpholin-3-one
CID 66665363
5-Difluoromethyl-5-(2-fluoro-phenyl)morpholin-3-one
CID 66665364
5-Difluoromethyl-5-(2-fluoro-phenyl)-2,2-dimethyl-morpholin-3-one
CID 66665803
5-(2-Fluoro-phenyl)-5-trifluoromethyl-[1,4]oxazepan-3-one
CID 66665933
(R)-5-Difluoromethyl-5-(2,3-difluoro-phenyl)-morpholin-3-one
CID 68110173
5-(Difluoromethyl)-5-(2,3-difluorophenyl)morpholin-3-one
CID 68110174
(R)-5-(5-(3,6-dihydro-2H-pyran-4-yl)-2-fluorophenyl)-6,6-difluoro-5,7,7-trimethyl-1,4-oxazepan-3-one
CID 68380032
5-[5-(3,6-dihydro-2H-pyran-4-yl)-2-fluorophenyl]-6,6-difluoro-5,7,7-trimethyl-1,4-oxazepan-3-one
CID 68380035
(5R)-5-[5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorophenyl]-6,6-difluoro-5,7,7-trimethyl-1,4-oxazepan-3-one
CID 68380110
5-[5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorophenyl]-6,6-difluoro-5,7,7-trimethyl-1,4-oxazepan-3-one
CID 68380111

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide?
The IUPAC name of (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide (CID 97083129) is (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide?
The canonical SMILES for (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide is COCCO[C@H](C)C(=O)NC1(c2ccc(F)cc2F)CCOCC1.
What is the InChIKey of (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide?
The InChIKey is DXMSOXYOQJUJPS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23F2NO4/c1-12(24-10-9-22-2)16(21)20-17(5-7-23-8-6-17)14-4-3-13(18)11-15(14)19/h3-4,11-12H,5-10H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide?
(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide has a molecular weight of 343.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 97083129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).