N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide

C14H15N3O4 — CID 18116900

IUPACN-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NC(C)c1ccco1
InChIInChI=1S/C14H15N3O4/c1-9(13-4-3-7-21-13)16-14(18)11-8-10(17(19)20)5-6-12(11)15-2/h3-9,15H,1-2H3,(H,16,18)
InChIKeySBOXJZVEDPWMJQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.72
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide

N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide (PubChem CID 18116900) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide
PubChem CID18116900
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NC(C)c1ccco1
InChIInChI=1S/C14H15N3O4/c1-9(13-4-3-7-21-13)16-14(18)11-8-10(17(19)20)5-6-12(11)15-2/h3-9,15H,1-2H3,(H,16,18)
InChIKeySBOXJZVEDPWMJQ-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

N-[1-(4-bromophenyl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 24544627
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463
N-(1-amino-1-oxopropan-2-yl)-2-(methylamino)-5-nitrobenzamide
CID 60698893
2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 115766373
N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide
CID 47113861
N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide
CID 63837382
2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)-5-nitrobenzamide
CID 115636044
5-fluoro-N-[1-(furan-2-yl)ethyl]-2-nitrobenzamide
CID 60875839
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)-5-nitrobenzamide
CID 60661259
N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide
CID 103799854
N-[1-(furan-2-yl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 18116893
1-(2-chloro-5-nitrophenyl)-3-[(1S)-1-(furan-2-yl)ethyl]thiourea
CID 9283923

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide (CID 18116900) is N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)NC(C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide?
The InChIKey is SBOXJZVEDPWMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9(13-4-3-7-21-13)16-14(18)11-8-10(17(19)20)5-6-12(11)15-2/h3-9,15H,1-2H3,(H,16,18).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide?
N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-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 N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 18116900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).