N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide

C18H14N2O4 — CID 8928120

IUPACN-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
SMILESO=C(N[C@H](c1ccccc1)c1ccco1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O4/c21-18(14-8-4-9-15(12-14)20(22)23)19-17(16-10-5-11-24-16)13-6-2-1-3-7-13/h1-12,17H,(H,19,21)/t17-/m1/s1
InChIKeyICSREQAFKXLCSQ-QGZVFWFLSA-N
MW322.32 g/mol
LogP3.71
Rot. Bonds5

About N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide

N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide (PubChem CID 8928120) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
PubChem CID8928120
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
SMILESO=C(N[C@H](c1ccccc1)c1ccco1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O4/c21-18(14-8-4-9-15(12-14)20(22)23)19-17(16-10-5-11-24-16)13-6-2-1-3-7-13/h1-12,17H,(H,19,21)/t17-/m1/s1
InChIKeyICSREQAFKXLCSQ-QGZVFWFLSA-N
XLogP3.71
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(S)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928119
1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea
CID 51244043
3-nitro-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46449776
N-[(4-methylphenyl)-phenylmethyl]-3-nitrobenzamide
CID 43886300
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171
3-nitro-N-[[(3-nitrobenzoyl)amino]-(3-nitrophenyl)methyl]benzamide
CID 3606641
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 75392204
3-(benzenesulfonamido)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454696
2,6-difluoro-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134028235
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-nitrobenzamide
CID 102556629
N-benzhydryl-4-nitrobenzamide
CID 676068

Frequently Asked Questions

What is the IUPAC name of N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide?
The IUPAC name of N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide (CID 8928120) is N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide.
What is the SMILES notation for N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide?
The canonical SMILES for N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide is O=C(N[C@H](c1ccccc1)c1ccco1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide?
The InChIKey is ICSREQAFKXLCSQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-18(14-8-4-9-15(12-14)20(22)23)19-17(16-10-5-11-24-16)13-6-2-1-3-7-13/h1-12,17H,(H,19,21)/t17-/m1/s1.
What are the key properties of N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide?
N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide has a molecular weight of 322.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 8928120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).