N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide

C15H13ClN2O4 — CID 2500531

IUPACN-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O4/c16-12-6-2-1-5-11(12)9-17-15(19)10-22-14-8-4-3-7-13(14)18(20)21/h1-8H,9-10H2,(H,17,19)
InChIKeyXFORPYHLUFBMJT-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.94
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide

N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 2500531) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
PubChem CID2500531
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NCc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O4/c16-12-6-2-1-5-11(12)9-17-15(19)10-22-14-8-4-3-7-13(14)18(20)21/h1-8H,9-10H2,(H,17,19)
InChIKeyXFORPYHLUFBMJT-UHFFFAOYSA-N
XLogP2.94
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.94
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-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473645
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 27554275
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342
N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978021
2-(2-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2903228
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide
CID 47439210
2-(2,6-dichlorophenoxy)ethyl 2-(2-nitrophenoxy)acetate
CID 7789050
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide (CID 2500531) is N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is XFORPYHLUFBMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c16-12-6-2-1-5-11(12)9-17-15(19)10-22-14-8-4-3-7-13(14)18(20)21/h1-8H,9-10H2,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide?
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 320.73 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 2500531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).