3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide

C18H25FN2O6 — CID 156584533

IUPAC3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2C[C@H](C(=O)NCCOCCO)C[C@@H]2O)cc1F
InChIInChI=1S/C18H25FN2O6/c1-26-16-3-2-11(8-13(16)19)18(25)21-14-9-12(10-15(14)23)17(24)20-4-6-27-7-5-22/h2-3,8,12,14-15,22-23H,4-7,9-10H2,1H3,(H,20,24)(H,21,25)/t12-,14-,15-/m0/s1
InChIKeyJAGDDXXZEWFEQX-QEJZJMRPSA-N
MW384.40 g/mol
LogP-0.17
Rot. Bonds9

About 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide

3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide (PubChem CID 156584533) has the molecular formula C18H25FN2O6 and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide
PubChem CID156584533
Molecular FormulaC18H25FN2O6
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2C[C@H](C(=O)NCCOCCO)C[C@@H]2O)cc1F
InChIInChI=1S/C18H25FN2O6/c1-26-16-3-2-11(8-13(16)19)18(25)21-14-9-12(10-15(14)23)17(24)20-4-6-27-7-5-22/h2-3,8,12,14-15,22-23H,4-7,9-10H2,1H3,(H,20,24)(H,21,25)/t12-,14-,15-/m0/s1
InChIKeyJAGDDXXZEWFEQX-QEJZJMRPSA-N
XLogP-0.17
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
2-(3-fluoro-4-methoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60682387
3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide
CID 111697126
N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 106366906
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide
CID 23141516
1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82102049
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide (CID 156584533) is 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H]2C[C@H](C(=O)NCCOCCO)C[C@@H]2O)cc1F.
What is the InChIKey of 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide?
The InChIKey is JAGDDXXZEWFEQX-QEJZJMRPSA-N. The full InChI is InChI=1S/C18H25FN2O6/c1-26-16-3-2-11(8-13(16)19)18(25)21-14-9-12(10-15(14)23)17(24)20-4-6-27-7-5-22/h2-3,8,12,14-15,22-23H,4-7,9-10H2,1H3,(H,20,24)(H,21,25)/t12-,14-,15-/m0/s1.
What are the key properties of 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide?
3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide has a molecular weight of 384.40 g/mol, XLogP of -0.17, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[2-(2-hydroxyethoxy)ethylcarbamoyl]cyclopentyl]-4-methoxybenzamide is sourced from PubChem (CID 156584533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).