2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide

C18H18Cl2N2O4 — CID 16960543

IUPAC2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N(C)C(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H18Cl2N2O4/c1-11(13-5-4-6-15(9-13)22(24)25)21(3)18(23)12(2)26-17-8-7-14(19)10-16(17)20/h4-12H,1-3H3
InChIKeyHGWZEAJKXZAVPP-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.89
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide

2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide (PubChem CID 16960543) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
PubChem CID16960543
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N(C)C(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H18Cl2N2O4/c1-11(13-5-4-6-15(9-13)22(24)25)21(3)18(23)12(2)26-17-8-7-14(19)10-16(17)20/h4-12H,1-3H3
InChIKeyHGWZEAJKXZAVPP-UHFFFAOYSA-N
XLogP4.89
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.89
H-Bond Donors ≤ 50
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-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 115588142
2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18086811
[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 23822406
1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46566218
[(1R)-1-(3-nitrophenyl)ethyl] 5-chloro-2-methoxybenzoate
CID 8738363
[2-(3-nitroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862700
5-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51233148
N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-phenylsulfanylpropanamide
CID 46449768
2-(2,4-dichlorophenoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]propanamide
CID 4500086
2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 103029241
1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene
CID 174601704
2-(azetidin-3-yl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 116678603

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide (CID 16960543) is 2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)N(C)C(C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide?
The InChIKey is HGWZEAJKXZAVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-11(13-5-4-6-15(9-13)22(24)25)21(3)18(23)12(2)26-17-8-7-14(19)10-16(17)20/h4-12H,1-3H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide?
2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide has a molecular weight of 397.26 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide is sourced from PubChem (CID 16960543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).