(2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide

C19H17N3O5 — CID 54328517

IUPAC(2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)n1c(O)ccc1O
InChIInChI=1S/C19H17N3O5/c23-17-10-11-18(24)21(17)16(12-13-4-2-1-3-5-13)19(25)20-14-6-8-15(9-7-14)22(26)27/h1-11,16,23-24H,12H2,(H,20,25)/t16-/m0/s1
InChIKeySWQZZNJKYSHRSI-INIZCTEOSA-N
MW367.36 g/mol
LogP3.23
Rot. Bonds6

About (2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide

(2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide (PubChem CID 54328517) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is (2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide
PubChem CID54328517
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name(2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)n1c(O)ccc1O
InChIInChI=1S/C19H17N3O5/c23-17-10-11-18(24)21(17)16(12-13-4-2-1-3-5-13)19(25)20-14-6-8-15(9-7-14)22(26)27/h1-11,16,23-24H,12H2,(H,20,25)/t16-/m0/s1
InChIKeySWQZZNJKYSHRSI-INIZCTEOSA-N
XLogP3.23
TPSA117.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide (CID 54328517) is (2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide is O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)n1c(O)ccc1O.
What is the InChIKey of (2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide?
The InChIKey is SWQZZNJKYSHRSI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17N3O5/c23-17-10-11-18(24)21(17)16(12-13-4-2-1-3-5-13)19(25)20-14-6-8-15(9-7-14)22(26)27/h1-11,16,23-24H,12H2,(H,20,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide?
(2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide has a molecular weight of 367.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dihydroxypyrrol-1-yl)-N-(4-nitrophenyl)-3-phenylpropanamide is sourced from PubChem (CID 54328517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).