N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide

C14H15N3O4 — CID 43780630

IUPACN,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C14H15N3O4/c1-16(2)14(18)10-3-5-11(6-4-10)15-9-12-7-8-13(21-12)17(19)20/h3-8,15H,9H2,1-2H3
InChIKeyUSWXDZMIIVFQTN-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.50
Rot. Bonds5

About N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide

N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide (PubChem CID 43780630) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide
PubChem CID43780630
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C14H15N3O4/c1-16(2)14(18)10-3-5-11(6-4-10)15-9-12-7-8-13(21-12)17(19)20/h3-8,15H,9H2,1-2H3
InChIKeyUSWXDZMIIVFQTN-UHFFFAOYSA-N
XLogP2.50
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
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-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43681973
4-ethyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43764272
N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide
CID 43767535
N-[(5-nitrofuran-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 43760615
2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine
CID 43783660
2-[4-(dimethylcarbamoyl)anilino]acetic acid
CID 58044865
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
CID 4824063
6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine
CID 81266383
N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide
CID 43778935
methyl 3-methyl-4-[(5-nitrofuran-2-yl)methylamino]benzoate
CID 43788035
(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride
CID 132585338

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide?
The IUPAC name of N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide (CID 43780630) is N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide is CN(C)C(=O)c1ccc(NCc2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide?
The InChIKey is USWXDZMIIVFQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-16(2)14(18)10-3-5-11(6-4-10)15-9-12-7-8-13(21-12)17(19)20/h3-8,15H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide?
N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide has a molecular weight of 289.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide is sourced from PubChem (CID 43780630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).