3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide

C14H15N3O4 — CID 62682694

IUPAC3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide
SMILESCNc1cc(C(=O)NCc2ccc(C)o2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4/c1-9-3-5-11(21-9)8-16-14(18)10-4-6-13(17(19)20)12(7-10)15-2/h3-7,15H,8H2,1-2H3,(H,16,18)
InChIKeyJJCWDNUODDBMRT-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.47
Rot. Bonds5

About 3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide

3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide (PubChem CID 62682694) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound Name3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide
PubChem CID62682694
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide
SMILESCNc1cc(C(=O)NCc2ccc(C)o2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4/c1-9-3-5-11(21-9)8-16-14(18)10-4-6-13(17(19)20)12(7-10)15-2/h3-7,15H,8H2,1-2H3,(H,16,18)
InChIKeyJJCWDNUODDBMRT-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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

N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62683031
N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide
CID 62682663
3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 62680335
N-(3-amino-3-oxopropyl)-3-(methylamino)-4-nitrobenzamide
CID 55102981
N-(5-amino-5-oxopentyl)-3-(methylamino)-4-nitrobenzamide
CID 106241069
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
3-(methylamino)-4-nitrobenzoic acid
CID 22184623
N-[4-(dimethylamino)butyl]-3-(methylamino)-4-nitrobenzamide
CID 62682681
3-(methylamino)-4-nitro-N-(2-propan-2-yloxyethyl)benzamide
CID 104765549
3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
CID 63962522
5-methyl-2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523940
2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115115877

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide?
The IUPAC name of 3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide (CID 62682694) is 3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide.
What is the SMILES notation for 3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide?
The canonical SMILES for 3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide is CNc1cc(C(=O)NCc2ccc(C)o2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide?
The InChIKey is JJCWDNUODDBMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9-3-5-11(21-9)8-16-14(18)10-4-6-13(17(19)20)12(7-10)15-2/h3-7,15H,8H2,1-2H3,(H,16,18).
What are the key properties of 3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide?
3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide has a molecular weight of 289.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 62682694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).