3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione

C20H19N3O4 — CID 110541949

IUPAC3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C20H19N3O4/c1-13(2)22-19(24)17(14-9-11-16(12-10-14)23(26)27)18(20(22)25)21(3)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyCIZZLIWWTNJBGH-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.22
Rot. Bonds5

About 3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione

3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110541949) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110541949
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C20H19N3O4/c1-13(2)22-19(24)17(14-9-11-16(12-10-14)23(26)27)18(20(22)25)21(3)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyCIZZLIWWTNJBGH-UHFFFAOYSA-N
XLogP3.22
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-methylanilino)-1-(2-methylphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542741
3-[bis(2-methoxyethyl)amino]-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110541945
3-anilino-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110585459
1-(2,5-dimethylphenyl)-3-(N-methylanilino)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542275
1-(2-ethoxyphenyl)-3-(N-methylanilino)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542076
N-methyl-4-nitro-N-phenylaniline
CID 11287619
3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110541926
3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110541948
3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110540875
3-(N-ethylanilino)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542146
1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572451
3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione (CID 110541949) is 3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione is CC(C)N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N(C)c2ccccc2)C1=O.
What is the InChIKey of 3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is CIZZLIWWTNJBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13(2)22-19(24)17(14-9-11-16(12-10-14)23(26)27)18(20(22)25)21(3)15-7-5-4-6-8-15/h4-13H,1-3H3.
What are the key properties of 3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione?
3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 365.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110541949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).