N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide

C24H21N3O6 — CID 55758189

IUPACN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide
SMILESCOc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C24H21N3O6/c1-32-22-14-16(9-11-20(22)26-13-5-8-23(26)28)25-24(29)19-15-17(27(30)31)10-12-21(19)33-18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,25,29)
InChIKeyVXIFPDORMQEQPF-UHFFFAOYSA-N
MW447.45 g/mol
LogP4.77
Rot. Bonds7

About N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide (PubChem CID 55758189) has the molecular formula C24H21N3O6 and a molecular weight of 447.45 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide
PubChem CID55758189
Molecular FormulaC24H21N3O6
Molecular Weight447.45 g/mol
Exact Mass447.14
IUPAC NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide
SMILESCOc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C24H21N3O6/c1-32-22-14-16(9-11-20(22)26-13-5-8-23(26)28)25-24(29)19-15-17(27(30)31)10-12-21(19)33-18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,25,29)
InChIKeyVXIFPDORMQEQPF-UHFFFAOYSA-N
XLogP4.77
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
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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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitrobenzamide
CID 42396738
2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7687142
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 7687475
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-nitro-2-phenoxybenzamide
CID 49169005
2,4-dimethoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686728
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide
CID 55758538
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686600
2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide (CID 55758189) is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide is COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide?
The InChIKey is VXIFPDORMQEQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6/c1-32-22-14-16(9-11-20(22)26-13-5-8-23(26)28)25-24(29)19-15-17(27(30)31)10-12-21(19)33-18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,25,29).
What are the key properties of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide?
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide has a molecular weight of 447.45 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide is sourced from PubChem (CID 55758189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).