N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide

C19H20N4O4 — CID 51248679

IUPACN-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCC(Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O4/c1-13(19(25)21-15-6-3-8-17(12-15)23(26)27)20-14-5-2-7-16(11-14)22-10-4-9-18(22)24/h2-3,5-8,11-13,20H,4,9-10H2,1H3,(H,21,25)
InChIKeyWJMWAFRZEXMERZ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.16
Rot. Bonds6

About N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide

N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide (PubChem CID 51248679) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
PubChem CID51248679
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCC(Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O4/c1-13(19(25)21-15-6-3-8-17(12-15)23(26)27)20-14-5-2-7-16(11-14)22-10-4-9-18(22)24/h2-3,5-8,11-13,20H,4,9-10H2,1H3,(H,21,25)
InChIKeyWJMWAFRZEXMERZ-UHFFFAOYSA-N
XLogP3.16
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55434399
N-(2,6-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248705
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 30572946
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
2-(2-nitrophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26458961
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
2-(3-chloro-4-methylanilino)-N-(3-nitrophenyl)propanamide
CID 46799452
N-tert-butyl-2-(3-nitroanilino)propanamide
CID 115573854
(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide
CID 9345649
(2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967638
1-(3-nitrophenyl)piperidin-2-one
CID 46786184

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The IUPAC name of N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide (CID 51248679) is N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The canonical SMILES for N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide is CC(Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The InChIKey is WJMWAFRZEXMERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-13(19(25)21-15-6-3-8-17(12-15)23(26)27)20-14-5-2-7-16(11-14)22-10-4-9-18(22)24/h2-3,5-8,11-13,20H,4,9-10H2,1H3,(H,21,25).
What are the key properties of N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide?
N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide has a molecular weight of 368.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide is sourced from PubChem (CID 51248679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).