N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide

C14H10Cl2N2O4 — CID 7865410

IUPACN-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-9-4-5-12(16)13(6-9)17-14(19)8-22-11-3-1-2-10(7-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyZHHSBDIBMGNIPX-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.92
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide

N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide (PubChem CID 7865410) has the molecular formula C14H10Cl2N2O4 and a molecular weight of 341.15 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
PubChem CID7865410
Molecular FormulaC14H10Cl2N2O4
Molecular Weight341.15 g/mol
Exact Mass340.00
IUPAC NameN-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-9-4-5-12(16)13(6-9)17-14(19)8-22-11-3-1-2-10(7-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyZHHSBDIBMGNIPX-UHFFFAOYSA-N
XLogP3.92
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.92
H-Bond Donors ≤ 51
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-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
CID 7865200
2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865411
N-(2-chloro-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2832007
2-(3-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2788510
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide
CID 51287740
[2-(2,5-dichloroanilino)-2-oxoethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate
CID 55927106
N-(4-iodo-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865526
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(3-nitrophenoxy)acetamide
CID 714771
2-(3-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7818423

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide (CID 7865410) is N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide is O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide?
The InChIKey is ZHHSBDIBMGNIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c15-9-4-5-12(16)13(6-9)17-14(19)8-22-11-3-1-2-10(7-11)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide?
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide has a molecular weight of 341.15 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 7865410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).