N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide

C18H17N3O5 — CID 7548189

IUPACN-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
SMILESCOc1cccc(N2C[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)c1
InChIInChI=1S/C18H17N3O5/c1-26-16-7-3-5-14(10-16)20-11-13(9-17(20)22)19-18(23)12-4-2-6-15(8-12)21(24)25/h2-8,10,13H,9,11H2,1H3,(H,19,23)/t13-/m1/s1
InChIKeyDRDWQWSNZHDPLN-CYBMUJFWSA-N
MW355.35 g/mol
LogP2.14
Rot. Bonds5

About N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide

N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide (PubChem CID 7548189) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
PubChem CID7548189
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
SMILESCOc1cccc(N2C[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)c1
InChIInChI=1S/C18H17N3O5/c1-26-16-7-3-5-14(10-16)20-11-13(9-17(20)22)19-18(23)12-4-2-6-15(8-12)21(24)25/h2-8,10,13H,9,11H2,1H3,(H,19,23)/t13-/m1/s1
InChIKeyDRDWQWSNZHDPLN-CYBMUJFWSA-N
XLogP2.14
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 ≤ 52.14
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

N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255372
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255032
3-chloro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548145
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 18573380
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 7563379
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-nitrobenzamide
CID 7548187
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-nitrobenzamide
CID 16822184
3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548178
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178
(Z)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 7255208
(Z)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 16822197

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide?
The IUPAC name of N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide (CID 7548189) is N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide.
What is the SMILES notation for N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide?
The canonical SMILES for N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide is COc1cccc(N2C[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)c1.
What is the InChIKey of N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide?
The InChIKey is DRDWQWSNZHDPLN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-26-16-7-3-5-14(10-16)20-11-13(9-17(20)22)19-18(23)12-4-2-6-15(8-12)21(24)25/h2-8,10,13H,9,11H2,1H3,(H,19,23)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide?
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide has a molecular weight of 355.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide is sourced from PubChem (CID 7548189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).