2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide

C22H20N2O4 — CID 31617514

IUPAC2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
SMILESO=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C22H20N2O4/c25-21(17-10-12-19(13-11-17)24(27)28)15-23-22(26)20-9-5-4-8-18(20)14-16-6-2-1-3-7-16/h1-13,21,25H,14-15H2,(H,23,26)/t21-/m0/s1
InChIKeyBMFXSNNVDMQWGJ-NRFANRHFSA-N
MW376.41 g/mol
LogP3.65
Rot. Bonds7

About 2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide

2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide (PubChem CID 31617514) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
PubChem CID31617514
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
SMILESO=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C22H20N2O4/c25-21(17-10-12-19(13-11-17)24(27)28)15-23-22(26)20-9-5-4-8-18(20)14-16-6-2-1-3-7-16/h1-13,21,25H,14-15H2,(H,23,26)/t21-/m0/s1
InChIKeyBMFXSNNVDMQWGJ-NRFANRHFSA-N
XLogP3.65
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.65
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-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methoxybenzamide
CID 2382187
3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 41176072
1-(4-nitrophenyl)-3-phenylpropan-1-ol
CID 155543661
N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide
CID 42908904
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
CID 43004373
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30138207
2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide
CID 27662653
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-nitrobenzamide
CID 90581439
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-nitrobenzamide
CID 90534706
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 75403133
2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate
CID 7189543
1-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 8625648

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide?
The IUPAC name of 2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide (CID 31617514) is 2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for 2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide?
The canonical SMILES for 2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide is O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide?
The InChIKey is BMFXSNNVDMQWGJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21(17-10-12-19(13-11-17)24(27)28)15-23-22(26)20-9-5-4-8-18(20)14-16-6-2-1-3-7-16/h1-13,21,25H,14-15H2,(H,23,26)/t21-/m0/s1.
What are the key properties of 2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide?
2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide has a molecular weight of 376.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 31617514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).