(1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C16H20FNO3 — CID 98774987

IUPAC(1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@H](CNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)Oc1cccc(F)c1
InChIInChI=1S/C16H20FNO3/c1-10(20-12-4-2-3-11(17)7-12)9-18-16(19)14-8-13-5-6-15(14)21-13/h2-4,7,10,13-15H,5-6,8-9H2,1H3,(H,18,19)/t10-,13-,14+,15-/m1/s1
InChIKeyPKTFNLVAIYGOSX-QPKOPYBWSA-N
MW293.34 g/mol
LogP2.28
Rot. Bonds5

About (1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

(1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98774987) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is (1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98774987
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name(1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@H](CNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)Oc1cccc(F)c1
InChIInChI=1S/C16H20FNO3/c1-10(20-12-4-2-3-11(17)7-12)9-18-16(19)14-8-13-5-6-15(14)21-13/h2-4,7,10,13-15H,5-6,8-9H2,1H3,(H,18,19)/t10-,13-,14+,15-/m1/s1
InChIKeyPKTFNLVAIYGOSX-QPKOPYBWSA-N
XLogP2.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide 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-[2-(3-fluorophenoxy)butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71974055
(1R,2S,4R)-N-[(2S)-2-(3-fluorophenoxy)butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378500
2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186702
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide
CID 120795026
3-amino-N-[2-(3-fluorophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804739
(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636246
N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide
CID 154766090
N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119335633
N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 120831827
1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
CID 111508451
trans-(1R,2R)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131962
trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131961

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 98774987) is (1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is C[C@H](CNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)Oc1cccc(F)c1.
What is the InChIKey of (1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PKTFNLVAIYGOSX-QPKOPYBWSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-10(20-12-4-2-3-11(17)7-12)9-18-16(19)14-8-13-5-6-15(14)21-13/h2-4,7,10,13-15H,5-6,8-9H2,1H3,(H,18,19)/t10-,13-,14+,15-/m1/s1.
What are the key properties of (1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98774987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).