(2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide

C23H27FN2O — CID 98430928

IUPAC(2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESC[C@H](N[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C23H27FN2O/c1-15(21-14-16-7-8-18(21)13-16)25-22(17-5-3-2-4-6-17)23(27)26-20-11-9-19(24)10-12-20/h2-6,9-12,15-16,18,21-22,25H,7-8,13-14H2,1H3,(H,26,27)/t15-,16-,18-,21-,22+/m0/s1
InChIKeyGNGMYUPULPXERU-LPMPVVGESA-N
MW366.48 g/mol
LogP4.92
Rot. Bonds6

About (2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide

(2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 98430928) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID98430928
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name(2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESC[C@H](N[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C23H27FN2O/c1-15(21-14-16-7-8-18(21)13-16)25-22(17-5-3-2-4-6-17)23(27)26-20-11-9-19(24)10-12-20/h2-6,9-12,15-16,18,21-22,25H,7-8,13-14H2,1H3,(H,26,27)/t15-,16-,18-,21-,22+/m0/s1
InChIKeyGNGMYUPULPXERU-LPMPVVGESA-N
XLogP4.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide with MolForge

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Related Compounds

(2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 98690157
1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine
CID 4848964
(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine
CID 98305321
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 46561078
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43111446
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 40632646
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3-diphenylpropanamide
CID 4526880
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylpropanamide
CID 42999766

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide (CID 98430928) is (2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide is C[C@H](N[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is GNGMYUPULPXERU-LPMPVVGESA-N. The full InChI is InChI=1S/C23H27FN2O/c1-15(21-14-16-7-8-18(21)13-16)25-22(17-5-3-2-4-6-17)23(27)26-20-11-9-19(24)10-12-20/h2-6,9-12,15-16,18,21-22,25H,7-8,13-14H2,1H3,(H,26,27)/t15-,16-,18-,21-,22+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide?
(2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 366.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 98430928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).