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

C15H12Cl2N2O3 — CID 38925954

IUPAC3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O3/c16-13-6-1-3-10(15(13)17)7-8-14(20)18-11-4-2-5-12(9-11)19(21)22/h1-6,9H,7-8H2,(H,18,20)
InChIKeyCFXCCRDWVKEFKB-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.47
Rot. Bonds5

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

3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide (PubChem CID 38925954) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide
PubChem CID38925954
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12Cl2N2O3/c16-13-6-1-3-10(15(13)17)7-8-14(20)18-11-4-2-5-12(9-11)19(21)22/h1-6,9H,7-8H2,(H,18,20)
InChIKeyCFXCCRDWVKEFKB-UHFFFAOYSA-N
XLogP4.47
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide
CID 2994198
[2-(3-nitroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633461
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
3-(3-aminophenyl)-N-(3-nitrophenyl)propanamide
CID 115341147
N-(4-chloro-3-nitrophenyl)-3-(2-chlorophenyl)propanamide
CID 17178923
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
[2-(3-nitroanilino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 18288310
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide
CID 38939684
3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
CID 29252079
3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56507680
potassium trifluoro-[3-(3-nitroanilino)-3-oxopropyl]boranuide
CID 171150748

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide (CID 38925954) is 3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide is O=C(CCc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide?
The InChIKey is CFXCCRDWVKEFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-13-6-1-3-10(15(13)17)7-8-14(20)18-11-4-2-5-12(9-11)19(21)22/h1-6,9H,7-8H2,(H,18,20).
What are the key properties of 3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide?
3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide has a molecular weight of 339.18 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 38925954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).