N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide

C20H18N2O5 — CID 34907145

IUPACN-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H18N2O5/c1-26-19-10-9-16(12-18(19)22(24)25)20(23)21(14-17-8-5-11-27-17)13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3
InChIKeyIOSVNRUEMDMBHK-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.04
Rot. Bonds7

About N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide

N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide (PubChem CID 34907145) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide
PubChem CID34907145
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H18N2O5/c1-26-19-10-9-16(12-18(19)22(24)25)20(23)21(14-17-8-5-11-27-17)13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3
InChIKeyIOSVNRUEMDMBHK-UHFFFAOYSA-N
XLogP4.04
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.04
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'}

Analyze N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-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

N-benzyl-N-(furan-2-ylmethyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 37429795
N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-3-nitrobenzamide
CID 42707930
N-benzyl-N-(furan-2-ylmethyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 37428479
N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 18830831
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide
CID 25486643
4-methoxy-3-nitro-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9166650
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-nitrobenzamide
CID 4228728
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methoxy-3-nitrobenzoate
CID 7381956

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide (CID 34907145) is N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1[N+](=O)[O-].
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide?
The InChIKey is IOSVNRUEMDMBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-26-19-10-9-16(12-18(19)22(24)25)20(23)21(14-17-8-5-11-27-17)13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide?
N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide has a molecular weight of 366.37 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 34907145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).