2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide

C14H19N3O3 — CID 63624159

IUPAC2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)NCCC1CCNC1
InChIInChI=1S/C14H19N3O3/c1-10-8-12(17(19)20)2-3-13(10)14(18)16-7-5-11-4-6-15-9-11/h2-3,8,11,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyIPAPBNIKNUAACI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.63
Rot. Bonds5

About 2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide

2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 63624159) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID63624159
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)NCCC1CCNC1
InChIInChI=1S/C14H19N3O3/c1-10-8-12(17(19)20)2-3-13(10)14(18)16-7-5-11-4-6-15-9-11/h2-3,8,11,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyIPAPBNIKNUAACI-UHFFFAOYSA-N
XLogP1.63
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
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'}

Analyze 2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide 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

2-bromo-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63623606
2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537862
2-methyl-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462651
2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557297
2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630422
2-(2-chloro-4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535731
2-amino-5-methyl-3-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536275
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537013
2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248421
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119533790

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 63624159) is 2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide is Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC1CCNC1.
What is the InChIKey of 2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is IPAPBNIKNUAACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-8-12(17(19)20)2-3-13(10)14(18)16-7-5-11-4-6-15-9-11/h2-3,8,11,15H,4-7,9H2,1H3,(H,16,18).
What are the key properties of 2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide?
2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 277.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 63624159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).