2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide

C15H12Cl2N2O4 — CID 42990450

IUPAC2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O4/c1-9(23-13-7-3-6-12(16)14(13)17)15(20)18-10-4-2-5-11(8-10)19(21)22/h2-9H,1H3,(H,18,20)
InChIKeyWNFPCTQWZRUYMK-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.31
Rot. Bonds5

About 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide

2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide (PubChem CID 42990450) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
PubChem CID42990450
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O4/c1-9(23-13-7-3-6-12(16)14(13)17)15(20)18-10-4-2-5-11(8-10)19(21)22/h2-9H,1H3,(H,18,20)
InChIKeyWNFPCTQWZRUYMK-UHFFFAOYSA-N
XLogP4.31
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.31
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

(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
2-(2,3-dichlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 42990455
2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549
[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 23822406
(2R)-2-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide
CID 2994198
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 118259670
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8956878
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947242

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide (CID 42990450) is 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide is CC(Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide?
The InChIKey is WNFPCTQWZRUYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c1-9(23-13-7-3-6-12(16)14(13)17)15(20)18-10-4-2-5-11(8-10)19(21)22/h2-9H,1H3,(H,18,20).
What are the key properties of 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide?
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide has a molecular weight of 355.18 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 42990450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).