(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide

C16H15ClN2O5 — CID 7990797

IUPAC(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C16H15ClN2O5/c1-10(16(20)18-12-4-3-5-13(9-12)23-2)24-15-7-6-11(17)8-14(15)19(21)22/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyVRHBHAXXPMQAPE-SNVBAGLBSA-N
MW350.76 g/mol
LogP3.66
Rot. Bonds6

About (2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide

(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide (PubChem CID 7990797) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide
PubChem CID7990797
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C16H15ClN2O5/c1-10(16(20)18-12-4-3-5-13(9-12)23-2)24-15-7-6-11(17)8-14(15)19(21)22/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyVRHBHAXXPMQAPE-SNVBAGLBSA-N
XLogP3.66
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.66
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)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 8562253
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide
CID 8886627
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7990835
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide
CID 5206007
methyl 2-(4-chloro-2-nitrophenoxy)propanoate
CID 54941361
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8569313
(2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide
CID 8601126
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 1293039

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide (CID 7990797) is (2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide?
The InChIKey is VRHBHAXXPMQAPE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-10(16(20)18-12-4-3-5-13(9-12)23-2)24-15-7-6-11(17)8-14(15)19(21)22/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide?
(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide has a molecular weight of 350.76 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 7990797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).