N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide

C14H19FN2O3 — CID 99778343

IUPACN-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(CN2CC[C@@H](O)C2)cc1F
InChIInChI=1S/C14H19FN2O3/c1-20-9-14(19)16-13-3-2-10(6-12(13)15)7-17-5-4-11(18)8-17/h2-3,6,11,18H,4-5,7-9H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyMAEYAPFPDYRXIA-LLVKDONJSA-N
MW282.31 g/mol
LogP0.98
Rot. Bonds5

About N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide

N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide (PubChem CID 99778343) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide
PubChem CID99778343
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC NameN-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(CN2CC[C@@H](O)C2)cc1F
InChIInChI=1S/C14H19FN2O3/c1-20-9-14(19)16-13-3-2-10(6-12(13)15)7-17-5-4-11(18)8-17/h2-3,6,11,18H,4-5,7-9H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyMAEYAPFPDYRXIA-LLVKDONJSA-N
XLogP0.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]-2-methoxyacetamide
CID 102554121
2-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 106699274
N-[4-(aminomethyl)-2-fluorophenyl]-2-methoxyacetamide;hydrochloride
CID 11651718
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
methyl 2-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]benzoate
CID 103749166
N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-2-methoxyacetamide
CID 71989273
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917017
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
N-(2,4-difluorophenyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131519
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917861
(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol
CID 46960615

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide (CID 99778343) is N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(CN2CC[C@@H](O)C2)cc1F.
What is the InChIKey of N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide?
The InChIKey is MAEYAPFPDYRXIA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-20-9-14(19)16-13-3-2-10(6-12(13)15)7-17-5-4-11(18)8-17/h2-3,6,11,18H,4-5,7-9H2,1H3,(H,16,19)/t11-/m1/s1.
What are the key properties of N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide?
N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide has a molecular weight of 282.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 99778343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).