(2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide

C20H27FN2O2 — CID 98786217

IUPAC(2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C20H27FN2O2/c21-18-5-3-15(4-6-18)19-13-23(9-10-25-19)20(24)22-8-7-17-12-14-1-2-16(17)11-14/h3-6,14,16-17,19H,1-2,7-13H2,(H,22,24)/t14-,16-,17+,19+/m0/s1
InChIKeyFAUYCKMHROSJER-ITQYTPKQSA-N
MW346.45 g/mol
LogP3.73
Rot. Bonds4

About (2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide

(2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide (PubChem CID 98786217) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is (2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide
PubChem CID98786217
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name(2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C20H27FN2O2/c21-18-5-3-15(4-6-18)19-13-23(9-10-25-19)20(24)22-8-7-17-12-14-1-2-16(17)11-14/h3-6,14,16-17,19H,1-2,7-13H2,(H,22,24)/t14-,16-,17+,19+/m0/s1
InChIKeyFAUYCKMHROSJER-ITQYTPKQSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-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-[3-(diethylamino)-3-oxopropyl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 55934228
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
2-(4-fluorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]morpholine-4-carboxamide
CID 55770291
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
(2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 99814956
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 60964272
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide (CID 98786217) is (2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide is O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide?
The InChIKey is FAUYCKMHROSJER-ITQYTPKQSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-18-5-3-15(4-6-18)19-13-23(9-10-25-19)20(24)22-8-7-17-12-14-1-2-16(17)11-14/h3-6,14,16-17,19H,1-2,7-13H2,(H,22,24)/t14-,16-,17+,19+/m0/s1.
What are the key properties of (2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide?
(2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 98786217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).