N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide

C14H9Cl2N3O7 — CID 17359401

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O7/c15-9-3-7(4-10(16)14(9)21)17-13(20)6-26-12-2-1-8(18(22)23)5-11(12)19(24)25/h1-5,21H,6H2,(H,17,20)
InChIKeyAAEYVGFQMYEPJO-UHFFFAOYSA-N
MW402.15 g/mol
LogP3.53
Rot. Bonds6

About N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide

N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide (PubChem CID 17359401) has the molecular formula C14H9Cl2N3O7 and a molecular weight of 402.15 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide
PubChem CID17359401
Molecular FormulaC14H9Cl2N3O7
Molecular Weight402.15 g/mol
Exact Mass400.98
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O7/c15-9-3-7(4-10(16)14(9)21)17-13(20)6-26-12-2-1-8(18(22)23)5-11(12)19(24)25/h1-5,21H,6H2,(H,17,20)
InChIKeyAAEYVGFQMYEPJO-UHFFFAOYSA-N
XLogP3.53
TPSA144.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.15
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl 5-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 17358902
N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide
CID 17359066
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
2-(2,4-dinitrophenoxy)acetyl chloride
CID 15133534
2-(4-chloro-2-nitrophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7991036
2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 17359269
2-(2-chloro-4-nitrophenoxy)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7865806
N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide
CID 17359267
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide
CID 2994198
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide
CID 17359083

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide (CID 17359401) is N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide?
The InChIKey is AAEYVGFQMYEPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O7/c15-9-3-7(4-10(16)14(9)21)17-13(20)6-26-12-2-1-8(18(22)23)5-11(12)19(24)25/h1-5,21H,6H2,(H,17,20).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide has a molecular weight of 402.15 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide is sourced from PubChem (CID 17359401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).