5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide

C18H25FN2O3 — CID 110127488

IUPAC5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(F)cc1C(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O
InChIInChI=1S/C18H25FN2O3/c1-20(18(23)13-11-12(19)5-8-16(13)24-2)14-6-7-15(17(14)22)21-9-3-4-10-21/h5,8,11,14-15,17,22H,3-4,6-7,9-10H2,1-2H3/t14-,15-,17-/m1/s1
InChIKeyYUPGKKLTDVOGNW-BFYDXBDKSA-N
MW336.41 g/mol
LogP1.89
Rot. Bonds4

About 5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide

5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide (PubChem CID 110127488) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide
PubChem CID110127488
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(F)cc1C(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O
InChIInChI=1S/C18H25FN2O3/c1-20(18(23)13-11-12(19)5-8-16(13)24-2)14-6-7-15(17(14)22)21-9-3-4-10-21/h5,8,11,14-15,17,22H,3-4,6-7,9-10H2,1-2H3/t14-,15-,17-/m1/s1
InChIKeyYUPGKKLTDVOGNW-BFYDXBDKSA-N
XLogP1.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide with MolForge

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
N-[(1S,2S,5S)-5-(acetamidomethyl)-2-hydroxy-5-phenylcycloheptyl]-5-fluoro-2-methoxy-N-methylbenzamide
CID 129455131
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110803736
(5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 56909608
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide
CID 19916383
5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide
CID 124952867
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228410
5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
CID 110886002
5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 166382855
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207824

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide (CID 110127488) is 5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide is COc1ccc(F)cc1C(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O.
What is the InChIKey of 5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide?
The InChIKey is YUPGKKLTDVOGNW-BFYDXBDKSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-20(18(23)13-11-12(19)5-8-16(13)24-2)14-6-7-15(17(14)22)21-9-3-4-10-21/h5,8,11,14-15,17,22H,3-4,6-7,9-10H2,1-2H3/t14-,15-,17-/m1/s1.
What are the key properties of 5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide?
5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide has a molecular weight of 336.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 110127488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).