N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide

C18H15N3O4 — CID 121084660

IUPACN-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C18H15N3O4/c22-18(14-6-8-16(9-7-14)21(23)24)20(13-17-5-3-11-25-17)12-15-4-1-2-10-19-15/h1-11H,12-13H2
InChIKeyVSNDYWAFNLHDBE-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.43
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide

N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 121084660) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID121084660
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C18H15N3O4/c22-18(14-6-8-16(9-7-14)21(23)24)20(13-17-5-3-11-25-17)12-15-4-1-2-10-19-15/h1-11H,12-13H2
InChIKeyVSNDYWAFNLHDBE-UHFFFAOYSA-N
XLogP3.43
TPSA89.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.43
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'}

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Related Compounds

N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 121084705
4-nitro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084464
3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084699
N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084763
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 70763383
2-ethoxy-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084654
5-bromo-2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084721
2-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 56724069
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide (CID 121084660) is N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide is O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is VSNDYWAFNLHDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-18(14-6-8-16(9-7-14)21(23)24)20(13-17-5-3-11-25-17)12-15-4-1-2-10-19-15/h1-11H,12-13H2.
What are the key properties of N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 337.34 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 121084660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).