N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide

C13H13N3O4 — CID 43767535

IUPACN-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H13N3O4/c1-14-13(17)9-3-2-4-10(7-9)15-8-11-5-6-12(20-11)16(18)19/h2-7,15H,8H2,1H3,(H,14,17)
InChIKeyPBNMAXNOXASACE-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.16
Rot. Bonds5

About N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide

N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide (PubChem CID 43767535) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide
PubChem CID43767535
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H13N3O4/c1-14-13(17)9-3-2-4-10(7-9)15-8-11-5-6-12(20-11)16(18)19/h2-7,15H,8H2,1H3,(H,14,17)
InChIKeyPBNMAXNOXASACE-UHFFFAOYSA-N
XLogP2.16
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.16
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

methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate
CID 43222502
N-[3-[(5-nitrofuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43771752
N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide
CID 43780630
3-[[(5-nitrofuran-2-yl)methylamino]methyl]benzamide
CID 43778796
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 43783342
3-[(5-chlorofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60780285
N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide
CID 18144354
6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine
CID 81266383

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide?
The IUPAC name of N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide (CID 43767535) is N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide.
What is the SMILES notation for N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide?
The canonical SMILES for N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide is CNC(=O)c1cccc(NCc2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide?
The InChIKey is PBNMAXNOXASACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-14-13(17)9-3-2-4-10(7-9)15-8-11-5-6-12(20-11)16(18)19/h2-7,15H,8H2,1H3,(H,14,17).
What are the key properties of N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide?
N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide has a molecular weight of 275.26 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide is sourced from PubChem (CID 43767535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).