2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide

C20H14Cl2N2O4 — CID 3303269

IUPAC2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N(c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H14Cl2N2O4/c21-14-10-11-19(16(22)12-14)28-13-20(25)23(15-6-2-1-3-7-15)17-8-4-5-9-18(17)24(26)27/h1-12H,13H2
InChIKeyFAWCNRLUSCBSGQ-UHFFFAOYSA-N
MW417.25 g/mol
LogP5.65
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide

2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide (PubChem CID 3303269) has the molecular formula C20H14Cl2N2O4 and a molecular weight of 417.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide
PubChem CID3303269
Molecular FormulaC20H14Cl2N2O4
Molecular Weight417.25 g/mol
Exact Mass416.03
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N(c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H14Cl2N2O4/c21-14-10-11-19(16(22)12-14)28-13-20(25)23(15-6-2-1-3-7-15)17-8-4-5-9-18(17)24(26)27/h1-12H,13H2
InChIKeyFAWCNRLUSCBSGQ-UHFFFAOYSA-N
XLogP5.65
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.25
LogP ≤ 55.65
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-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-phenylnitramide
CID 22311389
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 7764686
N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide
CID 3374858
(2-nitrophenyl) (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1013718
2-(2,4-dichlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7503891
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-(2,4-dichlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2500769
2-(2-nitrophenoxy)-N-phenyl-N-prop-2-enylacetamide
CID 78812401
N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide
CID 3303263

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide (CID 3303269) is 2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide is O=C(COc1ccc(Cl)cc1Cl)N(c1ccccc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide?
The InChIKey is FAWCNRLUSCBSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O4/c21-14-10-11-19(16(22)12-14)28-13-20(25)23(15-6-2-1-3-7-15)17-8-4-5-9-18(17)24(26)27/h1-12H,13H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide?
2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide has a molecular weight of 417.25 g/mol, XLogP of 5.65, 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-(2-nitrophenyl)-N-phenylacetamide is sourced from PubChem (CID 3303269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).