(2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide

C15H15FN2O2 — CID 51583258

IUPAC(2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1C=CCN1C(=O)c1ccccc1F
InChIInChI=1S/C15H15FN2O2/c1-2-9-17-14(19)13-8-5-10-18(13)15(20)11-6-3-4-7-12(11)16/h2-8,13H,1,9-10H2,(H,17,19)/t13-/m0/s1
InChIKeyNIVNCMWYPVTIKV-ZDUSSCGKSA-N
MW274.30 g/mol
LogP1.51
Rot. Bonds4

About (2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide

(2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide (PubChem CID 51583258) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is (2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
PubChem CID51583258
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name(2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1C=CCN1C(=O)c1ccccc1F
InChIInChI=1S/C15H15FN2O2/c1-2-9-17-14(19)13-8-5-10-18(13)15(20)11-6-3-4-7-12(11)16/h2-8,13H,1,9-10H2,(H,17,19)/t13-/m0/s1
InChIKeyNIVNCMWYPVTIKV-ZDUSSCGKSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide (CID 51583258) is (2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide is C=CCNC(=O)[C@@H]1C=CCN1C(=O)c1ccccc1F.
What is the InChIKey of (2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is NIVNCMWYPVTIKV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-2-9-17-14(19)13-8-5-10-18(13)15(20)11-6-3-4-7-12(11)16/h2-8,13H,1,9-10H2,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide?
(2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluorobenzoyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 51583258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).