2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide

C15H12Cl2N2O4 — CID 13052549

IUPAC2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O4/c1-9(23-12-5-6-13(16)14(17)8-12)15(20)18-10-3-2-4-11(7-10)19(21)22/h2-9H,1H3,(H,18,20)
InChIKeyUKTKZTALBVXWPE-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.31
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide

2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide (PubChem CID 13052549) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
PubChem CID13052549
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O4/c1-9(23-12-5-6-13(16)14(17)8-12)15(20)18-10-3-2-4-11(7-10)19(21)22/h2-9H,1H3,(H,18,20)
InChIKeyUKTKZTALBVXWPE-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

2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 42990450
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium
CID 158195814
2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
CID 17189238
(2R)-2-(3,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 8580012
N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 42903748
(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
CID 7865200
(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632124
[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 29155077
N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide
CID 5206007
4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide
CID 7865285

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide (CID 13052549) is 2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide?
The InChIKey is UKTKZTALBVXWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c1-9(23-12-5-6-13(16)14(17)8-12)15(20)18-10-3-2-4-11(7-10)19(21)22/h2-9H,1H3,(H,18,20).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide?
2-(3,4-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-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 13052549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).