(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide

C15H11Cl3N2O4 — CID 7865912

IUPAC(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3N2O4/c1-8(15(21)19-13-6-9(16)2-4-11(13)17)24-14-5-3-10(20(22)23)7-12(14)18/h2-8H,1H3,(H,19,21)/t8-/m0/s1
InChIKeyHKVKSRVVKZQYHP-QMMMGPOBSA-N
MW389.62 g/mol
LogP4.96
Rot. Bonds5

About (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide

(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide (PubChem CID 7865912) has the molecular formula C15H11Cl3N2O4 and a molecular weight of 389.62 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
PubChem CID7865912
Molecular FormulaC15H11Cl3N2O4
Molecular Weight389.62 g/mol
Exact Mass387.98
IUPAC Name(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3N2O4/c1-8(15(21)19-13-6-9(16)2-4-11(13)17)24-14-5-3-10(20(22)23)7-12(14)18/h2-8H,1H3,(H,19,21)/t8-/m0/s1
InChIKeyHKVKSRVVKZQYHP-QMMMGPOBSA-N
XLogP4.96
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.62
LogP ≤ 54.96
H-Bond Donors ≤ 51
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

2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
CID 3950317
(2S)-2-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7278991
2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide
CID 5226893
(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
CID 7865200
[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 23958969
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide
CID 8956858
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
CID 7865952
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7082956
N-(2-chloro-5-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160860
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7865944
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8956882

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide (CID 7865912) is (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide is C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is HKVKSRVVKZQYHP-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H11Cl3N2O4/c1-8(15(21)19-13-6-9(16)2-4-11(13)17)24-14-5-3-10(20(22)23)7-12(14)18/h2-8H,1H3,(H,19,21)/t8-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide?
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 389.62 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 7865912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).