N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide

C14H17FN2O4 — CID 91767703

IUPACN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide
SMILESNC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O4/c15-10-3-1-9(2-4-10)14(19)17-11-7-20-6-5-12(11)21-8-13(16)18/h1-4,11-12H,5-8H2,(H2,16,18)(H,17,19)/t11-,12+/m1/s1
InChIKeyVICBCEJOAASVNI-NEPJUHHUSA-N
MW296.30 g/mol
LogP0.21
Rot. Bonds5

About N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide

N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide (PubChem CID 91767703) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide
PubChem CID91767703
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC NameN-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide
SMILESNC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O4/c15-10-3-1-9(2-4-10)14(19)17-11-7-20-6-5-12(11)21-8-13(16)18/h1-4,11-12H,5-8H2,(H2,16,18)(H,17,19)/t11-,12+/m1/s1
InChIKeyVICBCEJOAASVNI-NEPJUHHUSA-N
XLogP0.21
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide 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

4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide
CID 91784528
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide
CID 91775491
2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide
CID 133265962
6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91769238
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide
CID 91765241
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(benzotriazol-2-yl)acetamide
CID 90653846
N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 91780574
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 91772759
2-[(3R,4S)-3-[(2-chloro-4,5-difluorobenzoyl)amino]oxan-4-yl]oxyacetic acid
CID 91779623
2-[(3S,4R)-3-[(2-cyclopropylpyrimidine-5-carbonyl)amino]oxan-4-yl]oxyacetic acid
CID 133266293
N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide
CID 91780813

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide (CID 91767703) is N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide is NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide?
The InChIKey is VICBCEJOAASVNI-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H17FN2O4/c15-10-3-1-9(2-4-10)14(19)17-11-7-20-6-5-12(11)21-8-13(16)18/h1-4,11-12H,5-8H2,(H2,16,18)(H,17,19)/t11-,12+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide?
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide has a molecular weight of 296.30 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 91767703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).