2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide

C12H9ClN2O4 — CID 773667

IUPAC2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
SMILESO=C(NCc1ccco1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H9ClN2O4/c13-11-6-8(15(17)18)3-4-10(11)12(16)14-7-9-2-1-5-19-9/h1-6H,7H2,(H,14,16)
InChIKeyXQAFKRLKACYSLS-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.77
Rot. Bonds4

About 2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide

2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide (PubChem CID 773667) has the molecular formula C12H9ClN2O4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
PubChem CID773667
Molecular FormulaC12H9ClN2O4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
SMILESO=C(NCc1ccco1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H9ClN2O4/c13-11-6-8(15(17)18)3-4-10(11)12(16)14-7-9-2-1-5-19-9/h1-6H,7H2,(H,14,16)
InChIKeyXQAFKRLKACYSLS-UHFFFAOYSA-N
XLogP2.77
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-chloro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-nitrobenzamide
CID 90605057
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-nitrobenzamide
CID 78867811
2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 9034384
2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide
CID 115598875
2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7509255
3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 1313709
2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 4827643
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
N-(furan-2-ylmethyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 2231856
2-chloro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-5-nitrobenzamide
CID 90605055
(2-chloro-4-nitrophenyl)-(furan-2-yl)methanone
CID 18967626
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 17407249

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide (CID 773667) is 2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide is O=C(NCc1ccco1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide?
The InChIKey is XQAFKRLKACYSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4/c13-11-6-8(15(17)18)3-4-10(11)12(16)14-7-9-2-1-5-19-9/h1-6H,7H2,(H,14,16).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide?
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide has a molecular weight of 280.67 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide is sourced from PubChem (CID 773667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).