5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide

C21H24N4O4 — CID 1063217

IUPAC5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)NC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCCC1
InChIInChI=1S/C21H24N4O4/c1-14(2)22-21(27)18-13-16(8-9-19(18)24-10-3-4-11-24)23-20(26)15-6-5-7-17(12-15)25(28)29/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyFFRJCOQROSLZJU-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.59
Rot. Bonds6

About 5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide

5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide (PubChem CID 1063217) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
PubChem CID1063217
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)NC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCCC1
InChIInChI=1S/C21H24N4O4/c1-14(2)22-21(27)18-13-16(8-9-19(18)24-10-3-4-11-24)23-20(26)15-6-5-7-17(12-15)25(28)29/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyFFRJCOQROSLZJU-UHFFFAOYSA-N
XLogP3.59
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide 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

N-[(2R)-butan-2-yl]-5-[(3-nitrobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 1059138
5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 42751129
5-[(3-nitrobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1055034
N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 51150163
2-(4-benzylpiperidin-1-yl)-5-[(4-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4217425
5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
CID 1063350
N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3430014
methyl 3-[(3-nitrobenzoyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55516795
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
2-(azepan-1-yl)-N-(3-methylphenyl)-5-nitrobenzamide
CID 2948692
3-nitro-N-[1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl]benzamide
CID 42909085
methyl 2-chloro-5-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoate
CID 34267022

Frequently Asked Questions

What is the IUPAC name of 5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide (CID 1063217) is 5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide is CC(C)NC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCCC1.
What is the InChIKey of 5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is FFRJCOQROSLZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-14(2)22-21(27)18-13-16(8-9-19(18)24-10-3-4-11-24)23-20(26)15-6-5-7-17(12-15)25(28)29/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 396.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 1063217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).