2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C18H17N3O4 — CID 27708565

IUPAC2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H17N3O4/c22-17(12-13-4-1-2-5-16(13)21(24)25)19-14-7-9-15(10-8-14)20-11-3-6-18(20)23/h1-2,4-5,7-10H,3,6,11-12H2,(H,19,22)
InChIKeyPKHFFHGPNKVAFR-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.90
Rot. Bonds5

About 2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 27708565) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID27708565
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H17N3O4/c22-17(12-13-4-1-2-5-16(13)21(24)25)19-14-7-9-15(10-8-14)20-11-3-6-18(20)23/h1-2,4-5,7-10H,3,6,11-12H2,(H,19,22)
InChIKeyPKHFFHGPNKVAFR-UHFFFAOYSA-N
XLogP2.90
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26458961
N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36662997
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
(2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967638
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
2-naphthalen-1-yl-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]acetamide
CID 8747408
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 99170180
2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 956534
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8716542

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 27708565) is 2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is PKHFFHGPNKVAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-17(12-13-4-1-2-5-16(13)21(24)25)19-14-7-9-15(10-8-14)20-11-3-6-18(20)23/h1-2,4-5,7-10H,3,6,11-12H2,(H,19,22).
What are the key properties of 2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 339.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 27708565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).