N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide

C16H19FN2O2 — CID 172889076

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCCC1C(=O)N[C@H](C)c1ccccc1F
InChIInChI=1S/C16H19FN2O2/c1-3-15(20)19-10-6-9-14(19)16(21)18-11(2)12-7-4-5-8-13(12)17/h3-5,7-8,11,14H,1,6,9-10H2,2H3,(H,18,21)/t11-,14?/m1/s1
InChIKeyXPTSJOVOHAUDHG-YNODCEANSA-N
MW290.34 g/mol
LogP2.18
Rot. Bonds4

About N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide

N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide (PubChem CID 172889076) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
PubChem CID172889076
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCCC1C(=O)N[C@H](C)c1ccccc1F
InChIInChI=1S/C16H19FN2O2/c1-3-15(20)19-10-6-9-14(19)16(21)18-11(2)12-7-4-5-8-13(12)17/h3-5,7-8,11,14H,1,6,9-10H2,2H3,(H,18,21)/t11-,14?/m1/s1
InChIKeyXPTSJOVOHAUDHG-YNODCEANSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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N-[1-(2-fluorophenyl)ethyl]piperidine-2-carboxamide
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1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24654663
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81377637
(2S)-2-N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 96567894
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N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide
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CID 95278526
N-(1-naphthalen-1-ylethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47004895
N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388197
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79527625

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide (CID 172889076) is N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide is C=CC(=O)N1CCCC1C(=O)N[C@H](C)c1ccccc1F.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
The InChIKey is XPTSJOVOHAUDHG-YNODCEANSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-3-15(20)19-10-6-9-14(19)16(21)18-11(2)12-7-4-5-8-13(12)17/h3-5,7-8,11,14H,1,6,9-10H2,2H3,(H,18,21)/t11-,14?/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 172889076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).