N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide

C16H22FN3O — CID 66209798

IUPACN-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CC2CNCC2C1C
InChIInChI=1S/C16H22FN3O/c1-10-3-4-13(17)5-15(10)19-16(21)9-20-8-12-6-18-7-14(12)11(20)2/h3-5,11-12,14,18H,6-9H2,1-2H3,(H,19,21)
InChIKeyOLJVFYSFERRCMP-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.61
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide

N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (PubChem CID 66209798) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
PubChem CID66209798
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CC2CNCC2C1C
InChIInChI=1S/C16H22FN3O/c1-10-3-4-13(17)5-15(10)19-16(21)9-20-8-12-6-18-7-14(12)11(20)2/h3-5,11-12,14,18H,6-9H2,1-2H3,(H,19,21)
InChIKeyOLJVFYSFERRCMP-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]cyclopropanecarboxamide
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N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
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N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
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CID 66996537
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
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2-[1-(4-fluorophenyl)ethylamino]-N-(2-propan-2-ylphenyl)acetamide
CID 4878604
(2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyanophenyl)-3-aza-bicyclo[3.1.0]hexan-6-ylamino)acetyl)-4-fluoropyrrolidine-2-carbonitrile
CID 44568057
(2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-6-fluorophenyl)-3-aza-bicyclo[3.1.0]hexan-6-ylamino)acetyl)-4-fluoropyrrolidine-2-carbonitrile
CID 44568098

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (CID 66209798) is N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is Cc1ccc(F)cc1NC(=O)CN1CC2CNCC2C1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The InChIKey is OLJVFYSFERRCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-10-3-4-13(17)5-15(10)19-16(21)9-20-8-12-6-18-7-14(12)11(20)2/h3-5,11-12,14,18H,6-9H2,1-2H3,(H,19,21).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide has a molecular weight of 291.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is sourced from PubChem (CID 66209798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).