4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide

C14H17N3O4 — CID 103863930

IUPAC4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide
SMILESNC(=O)c1ccc(NC2CCOC2C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17N3O4/c15-14(18)9-3-4-10(12(7-9)17(19)20)16-11-5-6-21-13(11)8-1-2-8/h3-4,7-8,11,13,16H,1-2,5-6H2,(H2,15,18)
InChIKeyNQUHQOPLNPISRJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.67
Rot. Bonds5

About 4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide

4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide (PubChem CID 103863930) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide.

Molecular Properties

Compound Name4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide
PubChem CID103863930
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide
SMILESNC(=O)c1ccc(NC2CCOC2C2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17N3O4/c15-14(18)9-3-4-10(12(7-9)17(19)20)16-11-5-6-21-13(11)8-1-2-8/h3-4,7-8,11,13,16H,1-2,5-6H2,(H2,15,18)
InChIKeyNQUHQOPLNPISRJ-UHFFFAOYSA-N
XLogP1.67
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
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'}

Analyze 4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide 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

4-[(2-methyloxan-4-yl)amino]-3-nitrobenzamide
CID 103889115
4-[[2-(hydroxymethyl)cyclopentyl]amino]-3-nitrobenzamide
CID 103703671
3-nitro-4-(oxan-3-ylamino)benzamide
CID 55189150
N-tert-butyl-4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzenesulfonamide
CID 75392407
4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide
CID 43599311
N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide
CID 103864653
4-[(3,4-dimethylcyclohexyl)amino]-3-nitrobenzamide
CID 64743861
4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitrobenzamide
CID 24592331
1-[3-nitro-4-(3-tricyclo[3.2.1.02,4]octanylamino)phenyl]ethanone
CID 133365593
cis-(1S,2R)-2-(4-acetyl-2-nitroanilino)cyclopentane-1-carboxamide
CID 95975448
2-(4-acetyl-2-nitroanilino)cyclohexane-1-carboxamide
CID 133365757
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-nitrobenzamide
CID 43400441

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide?
The IUPAC name of 4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide (CID 103863930) is 4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide.
What is the SMILES notation for 4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide?
The canonical SMILES for 4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide is NC(=O)c1ccc(NC2CCOC2C2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide?
The InChIKey is NQUHQOPLNPISRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-14(18)9-3-4-10(12(7-9)17(19)20)16-11-5-6-21-13(11)8-1-2-8/h3-4,7-8,11,13,16H,1-2,5-6H2,(H2,15,18).
What are the key properties of 4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide?
4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide has a molecular weight of 291.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyloxolan-3-yl)amino]-3-nitrobenzamide is sourced from PubChem (CID 103863930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).