N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide

C14H14N2O5 — CID 121145495

IUPACN-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide
SMILESCOC(CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C14H14N2O5/c1-20-13(12-6-3-7-21-12)9-15-14(17)10-4-2-5-11(8-10)16(18)19/h2-8,13H,9H2,1H3,(H,15,17)
InChIKeyMARORPNLEFYRKB-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide

N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide (PubChem CID 121145495) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide
PubChem CID121145495
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC NameN-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide
SMILESCOC(CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C14H14N2O5/c1-20-13(12-6-3-7-21-12)9-15-14(17)10-4-2-5-11(8-10)16(18)19/h2-8,13H,9H2,1H3,(H,15,17)
InChIKeyMARORPNLEFYRKB-UHFFFAOYSA-N
XLogP2.31
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.31
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

N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 7217179
methyl 2-chloro-3-[(3-nitrobenzoyl)amino]propanoate
CID 103493027
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide
CID 121145461
N-[(2R)-2-(furan-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-3-nitrobenzamide
CID 7525472
N-(2-hydroxy-4-methylpentyl)-3-nitrobenzamide
CID 103771399
2,6-difluoro-N-[2-(furan-2-yl)-2-methoxyethyl]benzamide
CID 121145483
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-nitrobenzamide
CID 7162631
N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120829926
N-(2-chloro-4,4-dimethylpentyl)-3-nitrobenzamide
CID 107156902
methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
CID 121145445
N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928120
N-[(S)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928119

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide (CID 121145495) is N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide is COC(CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide?
The InChIKey is MARORPNLEFYRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-20-13(12-6-3-7-21-12)9-15-14(17)10-4-2-5-11(8-10)16(18)19/h2-8,13H,9H2,1H3,(H,15,17).
What are the key properties of N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide?
N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide has a molecular weight of 290.28 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-methoxyethyl]-3-nitrobenzamide is sourced from PubChem (CID 121145495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).