[(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

C21H22FNO3 — CID 40651443

IUPAC[(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESC[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H22FNO3/c1-15(19(24)23-18-10-3-2-4-11-18)26-20(25)21(12-5-6-13-21)16-8-7-9-17(22)14-16/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyHAOJHQRFUAYBBJ-HNNXBMFYSA-N
MW355.41 g/mol
LogP4.21
Rot. Bonds5

About [(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

[(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 40651443) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is [(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID40651443
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name[(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESC[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H22FNO3/c1-15(19(24)23-18-10-3-2-4-11-18)26-20(25)21(12-5-6-13-21)16-8-7-9-17(22)14-16/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyHAOJHQRFUAYBBJ-HNNXBMFYSA-N
XLogP4.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2103665
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate
CID 9440930
[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 4538959
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2369876
[(2S)-1-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 129376038
[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate
CID 2523840
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574804
[2-(3-fluoroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2387321
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574634
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 7824908
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590345

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (CID 40651443) is [(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1ccccc1.
What is the InChIKey of [(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is HAOJHQRFUAYBBJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-15(19(24)23-18-10-3-2-4-11-18)26-20(25)21(12-5-6-13-21)16-8-7-9-17(22)14-16/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,23,24)/t15-/m0/s1.
What are the key properties of [(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
[(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 355.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 40651443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).