4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide

C19H18N4O5 — CID 3429807

IUPAC4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide
SMILESNC(=O)c1ccc(N(CN2CCCC2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H18N4O5/c20-18(25)13-3-7-15(8-4-13)22(12-21-11-1-2-17(21)24)19(26)14-5-9-16(10-6-14)23(27)28/h3-10H,1-2,11-12H2,(H2,20,25)
InChIKeyNGGPSKGEESXQGO-UHFFFAOYSA-N
MW382.38 g/mol
LogP1.92
Rot. Bonds6

About 4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide

4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide (PubChem CID 3429807) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide.

Molecular Properties

Compound Name4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide
PubChem CID3429807
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide
SMILESNC(=O)c1ccc(N(CN2CCCC2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H18N4O5/c20-18(25)13-3-7-15(8-4-13)22(12-21-11-1-2-17(21)24)19(26)14-5-9-16(10-6-14)23(27)28/h3-10H,1-2,11-12H2,(H2,20,25)
InChIKeyNGGPSKGEESXQGO-UHFFFAOYSA-N
XLogP1.92
TPSA126.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.92
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-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
CID 4082079
3,4-dimethoxy-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4256667
4-chloro-3-nitro-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4098524
2-bromo-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4275302
N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide
CID 5051528
N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 4082975
4-[(2-oxopyrrolidin-1-yl)methyl-(2-phenylacetyl)amino]benzamide
CID 5179253
N-[(2-oxopyrrolidin-1-yl)methyl]-N,4-diphenylbenzamide
CID 4682478
4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3576394
1-[2-(4-nitrophenyl)-2-oxoethyl]piperidin-2-one
CID 62024655
1-(4-nitrobenzoyl)pyrrolidin-2-one
CID 829246
N-(4-fluorophenyl)-3,4-dimethyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3244651

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide?
The IUPAC name of 4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide (CID 3429807) is 4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide.
What is the SMILES notation for 4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide?
The canonical SMILES for 4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide is NC(=O)c1ccc(N(CN2CCCC2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide?
The InChIKey is NGGPSKGEESXQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c20-18(25)13-3-7-15(8-4-13)22(12-21-11-1-2-17(21)24)19(26)14-5-9-16(10-6-14)23(27)28/h3-10H,1-2,11-12H2,(H2,20,25).
What are the key properties of 4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide?
4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide has a molecular weight of 382.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide is sourced from PubChem (CID 3429807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).