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

C18H14ClN3O4 — CID 121084705

IUPAC2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C18H14ClN3O4/c19-17-10-14(22(24)25)6-7-16(17)18(23)21(12-15-5-3-9-26-15)11-13-4-1-2-8-20-13/h1-10H,11-12H2
InChIKeyFTRYZVDUQAFRLA-UHFFFAOYSA-N
MW371.78 g/mol
LogP4.08
Rot. Bonds6

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

2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 121084705) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID121084705
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C18H14ClN3O4/c19-17-10-14(22(24)25)6-7-16(17)18(23)21(12-15-5-3-9-26-15)11-13-4-1-2-8-20-13/h1-10H,11-12H2
InChIKeyFTRYZVDUQAFRLA-UHFFFAOYSA-N
XLogP4.08
TPSA89.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 54.08
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-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 121084660
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 2566916
5-bromo-2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084721
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495692
N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 75504350
2-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 56724069
2-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 121084664
2-ethoxy-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084654
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide (CID 121084705) is 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide is O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is FTRYZVDUQAFRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c19-17-10-14(22(24)25)6-7-16(17)18(23)21(12-15-5-3-9-26-15)11-13-4-1-2-8-20-13/h1-10H,11-12H2.
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 371.78 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 121084705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).