3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide

C15H12F2N2O4 — CID 41176072

IUPAC3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
SMILESO=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2N2O4/c16-11-5-10(6-12(17)7-11)15(21)18-8-14(20)9-1-3-13(4-2-9)19(22)23/h1-7,14,20H,8H2,(H,18,21)/t14-/m0/s1
InChIKeyNUKKBJVUTJQLEQ-AWEZNQCLSA-N
MW322.27 g/mol
LogP2.34
Rot. Bonds5

About 3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide

3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide (PubChem CID 41176072) has the molecular formula C15H12F2N2O4 and a molecular weight of 322.27 g/mol. Its IUPAC name is 3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
PubChem CID41176072
Molecular FormulaC15H12F2N2O4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Name3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
SMILESO=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2N2O4/c16-11-5-10(6-12(17)7-11)15(21)18-8-14(20)9-1-3-13(4-2-9)19(22)23/h1-7,14,20H,8H2,(H,18,21)/t14-/m0/s1
InChIKeyNUKKBJVUTJQLEQ-AWEZNQCLSA-N
XLogP2.34
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
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-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-nitrobenzamide
CID 110888918
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
CID 43004373
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethylbenzamide
CID 40952776
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 8961150
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 40952744
4-fluoro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702481
2-(2,2-difluoroethylamino)-1-(4-nitrophenyl)ethanol
CID 115406788
2-(3-fluoro-5-methylanilino)-1-(4-nitrophenyl)ethanol
CID 115345045
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2980848
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methoxybenzamide
CID 2382187
2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 31617514
N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide
CID 42908904

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide (CID 41176072) is 3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide is O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide?
The InChIKey is NUKKBJVUTJQLEQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12F2N2O4/c16-11-5-10(6-12(17)7-11)15(21)18-8-14(20)9-1-3-13(4-2-9)19(22)23/h1-7,14,20H,8H2,(H,18,21)/t14-/m0/s1.
What are the key properties of 3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide?
3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide has a molecular weight of 322.27 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 41176072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).