(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide

C22H18N2O5 — CID 8534757

IUPAC(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@H](Oc2ccc([N+](=O)[O-])cc2C=O)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O5/c1-15-7-9-18(10-8-15)23-22(26)21(16-5-3-2-4-6-16)29-20-12-11-19(24(27)28)13-17(20)14-25/h2-14,21H,1H3,(H,23,26)/t21-/m1/s1
InChIKeyCFZCAYZOXYVYPJ-OAQYLSRUSA-N
MW390.40 g/mol
LogP4.47
Rot. Bonds7

About (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide

(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide (PubChem CID 8534757) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide
PubChem CID8534757
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@H](Oc2ccc([N+](=O)[O-])cc2C=O)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O5/c1-15-7-9-18(10-8-15)23-22(26)21(16-5-3-2-4-6-16)29-20-12-11-19(24(27)28)13-17(20)14-25/h2-14,21H,1H3,(H,23,26)/t21-/m1/s1
InChIKeyCFZCAYZOXYVYPJ-OAQYLSRUSA-N
XLogP4.47
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(4-nitrophenyl)-2-phenylacetamide
CID 2828422
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733327
(2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733164
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 2632132
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 7865797
(2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide
CID 8733195
(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7990437
(2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 7816653
(2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide
CID 9012640
(2S)-N-(2,6-difluorophenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733285
(2S)-2-(4-formyl-2-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 8529510
N,N'-bis(4-nitrophenyl)-2-phenylpropanediamide
CID 3396330

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide (CID 8534757) is (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide is Cc1ccc(NC(=O)[C@H](Oc2ccc([N+](=O)[O-])cc2C=O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide?
The InChIKey is CFZCAYZOXYVYPJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-15-7-9-18(10-8-15)23-22(26)21(16-5-3-2-4-6-16)29-20-12-11-19(24(27)28)13-17(20)14-25/h2-14,21H,1H3,(H,23,26)/t21-/m1/s1.
What are the key properties of (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide?
(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide has a molecular weight of 390.40 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 8534757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).