N-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide

C21H25FN4O — CID 155944708

IUPACN-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2C3C=C(c4ccnn4C)CC2CC3)c(F)c1
InChIInChI=1S/C21H25FN4O/c1-13-4-7-19(18(22)10-13)24-21(27)14(2)26-16-5-6-17(26)12-15(11-16)20-8-9-23-25(20)3/h4,7-11,14,16-17H,5-6,12H2,1-3H3,(H,24,27)
InChIKeyBMLKYPCTZOGWLK-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.51
Rot. Bonds4

About N-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide

N-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide (PubChem CID 155944708) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide
PubChem CID155944708
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2C3C=C(c4ccnn4C)CC2CC3)c(F)c1
InChIInChI=1S/C21H25FN4O/c1-13-4-7-19(18(22)10-13)24-21(27)14(2)26-16-5-6-17(26)12-15(11-16)20-8-9-23-25(20)3/h4,7-11,14,16-17H,5-6,12H2,1-3H3,(H,24,27)
InChIKeyBMLKYPCTZOGWLK-UHFFFAOYSA-N
XLogP3.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333977
8-(2,6-difluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 119038149
N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 86993661
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822
(2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 32724400
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013792
4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355912
1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 6928627
N-(2,5-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537266
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide (CID 155944708) is N-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide is Cc1ccc(NC(=O)C(C)N2C3C=C(c4ccnn4C)CC2CC3)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide?
The InChIKey is BMLKYPCTZOGWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-13-4-7-19(18(22)10-13)24-21(27)14(2)26-16-5-6-17(26)12-15(11-16)20-8-9-23-25(20)3/h4,7-11,14,16-17H,5-6,12H2,1-3H3,(H,24,27).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide?
N-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide has a molecular weight of 368.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propanamide is sourced from PubChem (CID 155944708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).