4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide

C14H15N3O4 — CID 78969781

IUPAC4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NC(C)c2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O4/c1-9(13-4-3-7-21-13)16-11-6-5-10(14(18)15-2)8-12(11)17(19)20/h3-9,16H,1-2H3,(H,15,18)
InChIKeyQISIMSAMNNCDOT-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.72
Rot. Bonds5

About 4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide

4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide (PubChem CID 78969781) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide
PubChem CID78969781
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NC(C)c2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O4/c1-9(13-4-3-7-21-13)16-11-6-5-10(14(18)15-2)8-12(11)17(19)20/h3-9,16H,1-2H3,(H,15,18)
InChIKeyQISIMSAMNNCDOT-UHFFFAOYSA-N
XLogP2.72
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
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

[4-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-nitrophenyl]-phenylmethanone
CID 9026379
3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide
CID 82989046
4-bromo-N-[(1S)-1-(furan-2-yl)ethyl]-3-nitrobenzamide
CID 9482035
4-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N-methyl-3-nitrobenzamide
CID 78969779
N-methyl-3-nitro-4-[1-(4-propan-2-ylsulfanylphenyl)ethylamino]benzamide
CID 133287460
N-methyl-4-(1-methylsulfanylpropan-2-ylamino)-3-nitrobenzamide
CID 115637675
4-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-methyl-3-nitrobenzamide
CID 78969756
4-(4-hydroxybutan-2-ylamino)-N-methyl-3-nitrobenzamide
CID 78997172
N-methyl-3-nitro-4-[[(1S)-1-(1,3-thiazol-5-yl)ethyl]amino]benzamide
CID 99802720
4-(1-methoxypropan-2-ylamino)-N-methyl-3-nitrobenzamide
CID 78977308
4-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methyl-3-nitrobenzamide
CID 71906158
4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide
CID 115766672

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide (CID 78969781) is 4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide is CNC(=O)c1ccc(NC(C)c2ccco2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide?
The InChIKey is QISIMSAMNNCDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9(13-4-3-7-21-13)16-11-6-5-10(14(18)15-2)8-12(11)17(19)20/h3-9,16H,1-2H3,(H,15,18).
What are the key properties of 4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide?
4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide has a molecular weight of 289.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-yl)ethylamino]-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 78969781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).