N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide

C18H17N3O4 — CID 7686984

IUPACN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1N1CCCC1=O
InChIInChI=1S/C18H17N3O4/c1-12-4-7-14(11-16(12)20-10-2-3-17(20)22)19-18(23)13-5-8-15(9-6-13)21(24)25/h4-9,11H,2-3,10H2,1H3,(H,19,23)
InChIKeyDAGAUVPSEOZIEQ-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.28
Rot. Bonds4

About N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide

N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide (PubChem CID 7686984) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
PubChem CID7686984
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1N1CCCC1=O
InChIInChI=1S/C18H17N3O4/c1-12-4-7-14(11-16(12)20-10-2-3-17(20)22)19-18(23)13-5-8-15(9-6-13)21(24)25/h4-9,11H,2-3,10H2,1H3,(H,19,23)
InChIKeyDAGAUVPSEOZIEQ-UHFFFAOYSA-N
XLogP3.28
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
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

N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687806
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686978
3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687739
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7687075
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 100586215
2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686600
4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687807
N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide (CID 7686984) is N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide is Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1N1CCCC1=O.
What is the InChIKey of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide?
The InChIKey is DAGAUVPSEOZIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-12-4-7-14(11-16(12)20-10-2-3-17(20)22)19-18(23)13-5-8-15(9-6-13)21(24)25/h4-9,11H,2-3,10H2,1H3,(H,19,23).
What are the key properties of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide?
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide has a molecular weight of 339.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 7686984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).