N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide

C17H19FN2O2 — CID 111537754

IUPACN-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)Nc1cc(-n2cccc2)ccc1F
InChIInChI=1S/C17H19FN2O2/c18-14-6-5-13(20-9-3-4-10-20)11-15(14)19-16(21)12-17(22)7-1-2-8-17/h3-6,9-11,22H,1-2,7-8,12H2,(H,19,21)
InChIKeyWZQWPHGDBXESNC-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.25
Rot. Bonds4

About N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide

N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111537754) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111537754
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)Nc1cc(-n2cccc2)ccc1F
InChIInChI=1S/C17H19FN2O2/c18-14-6-5-13(20-9-3-4-10-20)11-15(14)19-16(21)12-17(22)7-1-2-8-17/h3-6,9-11,22H,1-2,7-8,12H2,(H,19,21)
InChIKeyWZQWPHGDBXESNC-UHFFFAOYSA-N
XLogP3.25
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111331778
N-(4-chloro-2-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432127
N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111537333
2-(1-hydroxycyclopentyl)-N-(2-hydroxyphenyl)acetamide
CID 111430337
N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-methoxyurea
CID 75420852
2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
CID 111536466
2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 111430472
N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 56556711
3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010393
N-(2-ethylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430432
methyl (3S)-3-fluoro-1-[(2-fluoro-5-pyrrol-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 96999077

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide (CID 111537754) is N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide is O=C(CC1(O)CCCC1)Nc1cc(-n2cccc2)ccc1F.
What is the InChIKey of N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is WZQWPHGDBXESNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-14-6-5-13(20-9-3-4-10-20)11-15(14)19-16(21)12-17(22)7-1-2-8-17/h3-6,9-11,22H,1-2,7-8,12H2,(H,19,21).
What are the key properties of N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide?
N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 302.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111537754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).