N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C18H17N3O5 — CID 55394131

IUPACN-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H17N3O5/c1-26-16-8-7-14(21(24)25)11-15(16)19-18(23)12-4-2-5-13(10-12)20-9-3-6-17(20)22/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,19,23)
InChIKeyWNDUXEMQZFNLRT-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.98
Rot. Bonds5

About N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide

N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 55394131) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID55394131
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H17N3O5/c1-26-16-8-7-14(21(24)25)11-15(16)19-18(23)12-4-2-5-13(10-12)20-9-3-6-17(20)22/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,19,23)
InChIKeyWNDUXEMQZFNLRT-UHFFFAOYSA-N
XLogP2.98
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
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

3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 7687475
N-[(E)-(4-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 6894458
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9370024
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 135421588
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687664
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 17342490
4-chloro-N-(2-methoxy-5-nitrophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2099812
N-[2-(difluoromethoxy)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27827122
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 55394131) is N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is WNDUXEMQZFNLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-26-16-8-7-14(21(24)25)11-15(16)19-18(23)12-4-2-5-13(10-12)20-9-3-6-17(20)22/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,19,23).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 355.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55394131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).