2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide

C14H15N3O4 — CID 9034384

IUPAC2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccco1
InChIInChI=1S/C14H15N3O4/c1-16(2)13-6-5-10(17(19)20)8-12(13)14(18)15-9-11-4-3-7-21-11/h3-8H,9H2,1-2H3,(H,15,18)
InChIKeyLDJZNUBOFYHPHA-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.18
Rot. Bonds5

About 2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide

2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide (PubChem CID 9034384) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide
PubChem CID9034384
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccco1
InChIInChI=1S/C14H15N3O4/c1-16(2)13-6-5-10(17(19)20)8-12(13)14(18)15-9-11-4-3-7-21-11/h3-8H,9H2,1-2H3,(H,15,18)
InChIKeyLDJZNUBOFYHPHA-UHFFFAOYSA-N
XLogP2.18
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide
CID 7826091
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
2-(dimethylamino)-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-nitrobenzamide
CID 111520203
2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 9206110
2-(dimethylamino)-5-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9317650
2-(dimethylamino)-N-[(4-methylsulfonylphenyl)methyl]-5-nitrobenzamide
CID 60553619
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574
2-(dimethylamino)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 47099164
2-(dimethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-nitrobenzamide
CID 34487244
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 17407249
2-(dimethylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 31787443
2-(dimethylamino)-5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9277234

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide?
The IUPAC name of 2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide (CID 9034384) is 2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide.
What is the SMILES notation for 2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide?
The canonical SMILES for 2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide is CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccco1.
What is the InChIKey of 2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide?
The InChIKey is LDJZNUBOFYHPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-16(2)13-6-5-10(17(19)20)8-12(13)14(18)15-9-11-4-3-7-21-11/h3-8H,9H2,1-2H3,(H,15,18).
What are the key properties of 2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide?
2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide has a molecular weight of 289.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide is sourced from PubChem (CID 9034384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).