N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide

C19H16F3N3O4 — CID 4082079

IUPACN-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C1CCCN1CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H16F3N3O4/c20-19(21,22)14-5-3-13(4-6-14)18(27)24(12-23-11-1-2-17(23)26)15-7-9-16(10-8-15)25(28)29/h3-10H,1-2,11-12H2
InChIKeyQUKMCMKBWZRUDP-UHFFFAOYSA-N
MW407.35 g/mol
LogP3.84
Rot. Bonds5

About N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide

N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 4082079) has the molecular formula C19H16F3N3O4 and a molecular weight of 407.35 g/mol. Its IUPAC name is N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID4082079
Molecular FormulaC19H16F3N3O4
Molecular Weight407.35 g/mol
Exact Mass407.11
IUPAC NameN-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C1CCCN1CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H16F3N3O4/c20-19(21,22)14-5-3-13(4-6-14)18(27)24(12-23-11-1-2-17(23)26)15-7-9-16(10-8-15)25(28)29/h3-10H,1-2,11-12H2
InChIKeyQUKMCMKBWZRUDP-UHFFFAOYSA-N
XLogP3.84
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
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

4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide
CID 3429807
4-chloro-3-nitro-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4098524
3,4-dimethoxy-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4256667
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-[(2-oxopyrrolidin-1-yl)methyl]-N,4-diphenylbenzamide
CID 4682478
1-[2-(4-nitrophenyl)-2-oxoethyl]piperidin-2-one
CID 62024655
4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3576394
N-(4-fluorophenyl)-3,4-dimethyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3244651
1-(4-nitrobenzoyl)pyrrolidin-2-one
CID 829246
N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4134618
N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4099523

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide (CID 4082079) is N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide is O=C1CCCN1CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is QUKMCMKBWZRUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4/c20-19(21,22)14-5-3-13(4-6-14)18(27)24(12-23-11-1-2-17(23)26)15-7-9-16(10-8-15)25(28)29/h3-10H,1-2,11-12H2.
What are the key properties of N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide?
N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 407.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4082079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).