2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide

C16H15ClN2O4 — CID 7815730

IUPAC2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)COc2ccccc2Cl)c1C
InChIInChI=1S/C16H15ClN2O4/c1-10-7-8-13(19(21)22)16(11(10)2)18-15(20)9-23-14-6-4-3-5-12(14)17/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyFRDPWFOPYGTNNV-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.88
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide

2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide (PubChem CID 7815730) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide
PubChem CID7815730
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)COc2ccccc2Cl)c1C
InChIInChI=1S/C16H15ClN2O4/c1-10-7-8-13(19(21)22)16(11(10)2)18-15(20)9-23-14-6-4-3-5-12(14)17/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyFRDPWFOPYGTNNV-UHFFFAOYSA-N
XLogP3.88
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.88
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-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide
CID 7762574
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8631755
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844454
2-(2-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2903228
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 8710365
N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide
CID 7998135
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 7775989
N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide
CID 16769548
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731416
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984536
2-(2-chlorophenoxy)-N-[(2-methyl-3-nitrophenyl)carbamothioyl]acetamide
CID 5209582
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 8709472

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide (CID 7815730) is 2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide is Cc1ccc([N+](=O)[O-])c(NC(=O)COc2ccccc2Cl)c1C.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide?
The InChIKey is FRDPWFOPYGTNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-10-7-8-13(19(21)22)16(11(10)2)18-15(20)9-23-14-6-4-3-5-12(14)17/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide?
2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide has a molecular weight of 334.76 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 7815730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).