N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C19H19N3O4 — CID 36663059

IUPACN-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C19H19N3O4/c1-13-7-8-16(22(25)26)11-17(13)20-19(24)15-5-2-4-14(10-15)12-21-9-3-6-18(21)23/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,20,24)
InChIKeySTXMSBUABKVVCZ-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.28
Rot. Bonds5

About N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 36663059) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID36663059
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C19H19N3O4/c1-13-7-8-16(22(25)26)11-17(13)20-19(24)15-5-2-4-14(10-15)12-21-9-3-6-18(21)23/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,20,24)
InChIKeySTXMSBUABKVVCZ-UHFFFAOYSA-N
XLogP3.28
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.28
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

3-[(2-oxopyrrolidin-1-yl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51229689
N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55414254
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55750325
N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36662906
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
N-(2,3-dichlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51219042
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
CID 1309584
2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide
CID 9224313
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 134062959
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 39996091

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 36663059) is N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is STXMSBUABKVVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13-7-8-16(22(25)26)11-17(13)20-19(24)15-5-2-4-14(10-15)12-21-9-3-6-18(21)23/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,20,24).
What are the key properties of N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 36663059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).