N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide

C17H19N3O4 — CID 31365525

IUPACN-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1
InChIInChI=1S/C17H19N3O4/c1-18(12-14-5-4-10-24-14)17(21)15-11-13(20(22)23)6-7-16(15)19-8-2-3-9-19/h4-7,10-11H,2-3,8-9,12H2,1H3
InChIKeyMHTKHMBFBOVTGR-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.06
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide

N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide (PubChem CID 31365525) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide
PubChem CID31365525
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1
InChIInChI=1S/C17H19N3O4/c1-18(12-14-5-4-10-24-14)17(21)15-11-13(20(22)23)6-7-16(15)19-8-2-3-9-19/h4-7,10-11H,2-3,8-9,12H2,1H3
InChIKeyMHTKHMBFBOVTGR-UHFFFAOYSA-N
XLogP3.06
TPSA79.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
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 N-(furan-2-ylmethyl)-N-methyl-5-nitro-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-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 31963935
N-[(3-cyanophenyl)methyl]-N-methyl-5-nitro-2-piperidin-1-ylbenzamide
CID 32590427
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 7837353
N,N-diethyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 102603226
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-5-nitro-2-piperidin-1-ylbenzamide
CID 55417784
N-[(2-fluorophenyl)methyl]-N-methyl-2-morpholin-4-yl-5-nitrobenzamide
CID 30253381
N-[(3-chlorophenyl)methyl]-N-methyl-2-morpholin-4-yl-5-nitrobenzamide
CID 18080018
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-nitro-2-piperidin-1-ylbenzamide
CID 55331422
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-nitro-2-piperidin-1-ylbenzamide
CID 24978691
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 24504883
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-morpholin-4-yl-5-nitrobenzamide
CID 9277496
N-benzyl-N-(furan-2-ylmethyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 37429795

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide (CID 31365525) is N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide is CN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide?
The InChIKey is MHTKHMBFBOVTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-18(12-14-5-4-10-24-14)17(21)15-11-13(20(22)23)6-7-16(15)19-8-2-3-9-19/h4-7,10-11H,2-3,8-9,12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide?
N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide has a molecular weight of 329.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 31365525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).