(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide

C21H17ClN2O5 — CID 7865797

IUPAC(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1
InChIInChI=1S/C21H17ClN2O5/c1-28-17-9-5-8-15(12-17)23-21(25)20(14-6-3-2-4-7-14)29-19-11-10-16(24(26)27)13-18(19)22/h2-13,20H,1H3,(H,23,25)/t20-/m0/s1
InChIKeyXAOMLXICODEOLJ-FQEVSTJZSA-N
MW412.83 g/mol
LogP5.02
Rot. Bonds7

About (2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide

(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide (PubChem CID 7865797) has the molecular formula C21H17ClN2O5 and a molecular weight of 412.83 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide
PubChem CID7865797
Molecular FormulaC21H17ClN2O5
Molecular Weight412.83 g/mol
Exact Mass412.08
IUPAC Name(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1
InChIInChI=1S/C21H17ClN2O5/c1-28-17-9-5-8-15(12-17)23-21(25)20(14-6-3-2-4-7-14)29-19-11-10-16(24(26)27)13-18(19)22/h2-13,20H,1H3,(H,23,25)/t20-/m0/s1
InChIKeyXAOMLXICODEOLJ-FQEVSTJZSA-N
XLogP5.02
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.83
LogP ≤ 55.02
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

(2S)-2-(4-formyl-2-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 8529510
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-cyanophenoxy)-2-phenylacetamide
CID 7433371
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8956878
N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide
CID 108513447
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide
CID 18268134
2-methoxy-N-(4-nitrophenyl)-2-phenylacetamide
CID 2828422
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947242
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
CID 2513216
(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7990797

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide (CID 7865797) is (2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide is COc1cccc(NC(=O)[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c1.
What is the InChIKey of (2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide?
The InChIKey is XAOMLXICODEOLJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H17ClN2O5/c1-28-17-9-5-8-15(12-17)23-21(25)20(14-6-3-2-4-7-14)29-19-11-10-16(24(26)27)13-18(19)22/h2-13,20H,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide?
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide has a molecular weight of 412.83 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 7865797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).