N-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide

C15H12Cl2N2O4 — CID 46838415

IUPACN-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Oc2cccc(Cl)c2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12Cl2N2O4/c1-9(20)18(2)12-7-6-10(8-13(12)19(21)22)23-14-5-3-4-11(16)15(14)17/h3-8H,1-2H3
InChIKeyWEOOFLCJJLZZHC-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.68
Rot. Bonds4

About N-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide

N-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide (PubChem CID 46838415) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is N-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide
PubChem CID46838415
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC NameN-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Oc2cccc(Cl)c2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12Cl2N2O4/c1-9(20)18(2)12-7-6-10(8-13(12)19(21)22)23-14-5-3-4-11(16)15(14)17/h3-8H,1-2H3
InChIKeyWEOOFLCJJLZZHC-UHFFFAOYSA-N
XLogP4.68
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.68
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

N-methyl-N-(2-nitro-4-phenylphenyl)acetamide
CID 70088982
3-(2,3-dichlorophenoxy)-4-nitrobenzoic acid
CID 82777157
[2-chloro-6-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201825
[3-(3-chloro-4-fluorophenoxy)-2-nitrophenyl]-methylcarbamic acid
CID 68661414
1-chloro-2-(chloromethyl)-3-(3-chloro-4-nitrophenoxy)benzene
CID 63566974
1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone
CID 9212979
1-chloro-3-(3-fluoro-4-nitrophenoxy)-2-nitrobenzene
CID 104835402
5-(3-chloro-2-fluorophenoxy)-2-nitroaniline
CID 106752111
1-[4-(2-chloro-5-methylphenoxy)-2-nitrophenyl]ethanone
CID 104529848
N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide
CID 53401332
5-(2,4-dichlorophenoxy)-N,N-dimethyl-2-nitroaniline
CID 13194931
(2,3-dichlorophenyl) 2-methyl-3-nitrobenzoate
CID 2707375

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide?
The IUPAC name of N-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide (CID 46838415) is N-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide?
The canonical SMILES for N-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(Oc2cccc(Cl)c2Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide?
The InChIKey is WEOOFLCJJLZZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c1-9(20)18(2)12-7-6-10(8-13(12)19(21)22)23-14-5-3-4-11(16)15(14)17/h3-8H,1-2H3.
What are the key properties of N-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide?
N-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide has a molecular weight of 355.18 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dichlorophenoxy)-2-nitrophenyl]-N-methylacetamide is sourced from PubChem (CID 46838415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).