(2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide

C19H24FN3O4 — CID 46891573

IUPAC(2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O4/c1-2-3-5-14(12-22(27)13-24)19(26)23-11-4-6-17(23)18(25)21-16-9-7-15(20)8-10-16/h4,6-10,13-14,17,27H,2-3,5,11-12H2,1H3,(H,21,25)/t14-,17+/m1/s1
InChIKeyRTOCBBYQNTVQPK-PBHICJAKSA-N
MW377.42 g/mol
LogP2.19
Rot. Bonds9

About (2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide

(2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide (PubChem CID 46891573) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide
PubChem CID46891573
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name(2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O4/c1-2-3-5-14(12-22(27)13-24)19(26)23-11-4-6-17(23)18(25)21-16-9-7-15(20)8-10-16/h4,6-10,13-14,17,27H,2-3,5,11-12H2,1H3,(H,21,25)/t14-,17+/m1/s1
InChIKeyRTOCBBYQNTVQPK-PBHICJAKSA-N
XLogP2.19
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide (CID 46891573) is (2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is RTOCBBYQNTVQPK-PBHICJAKSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-2-3-5-14(12-22(27)13-24)19(26)23-11-4-6-17(23)18(25)21-16-9-7-15(20)8-10-16/h4,6-10,13-14,17,27H,2-3,5,11-12H2,1H3,(H,21,25)/t14-,17+/m1/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide?
(2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 46891573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).