2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide

C16H15ClN2O4 — CID 3995786

IUPAC2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)NCCc1ccccc1
InChIInChI=1S/C16H15ClN2O4/c17-14-10-13(19(21)22)6-7-15(14)23-11-16(20)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,18,20)
InChIKeyRLBJFYIVBUBQAN-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.99
Rot. Bonds7

About 2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide

2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide (PubChem CID 3995786) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
PubChem CID3995786
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)NCCc1ccccc1
InChIInChI=1S/C16H15ClN2O4/c17-14-10-13(19(21)22)6-7-15(14)23-11-16(20)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,18,20)
InChIKeyRLBJFYIVBUBQAN-UHFFFAOYSA-N
XLogP2.99
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.99
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-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chloro-2-nitrophenoxy)acetamide
CID 164946774
2-(2-Chloro-4-nitrophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3974490
2-(2-chloro-4-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4780067
2-(2-Chloro-4-nitrophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4780114
N-[1-(4-chlorophenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 60356606
Benzyl hydrogen [3-(2-chloro-4-nitrophenoxy)propyl]carbonimidate
CID 276208
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 977997
4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 2310070
2-(4-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 2792230
3-(2-chloro-4-nitrophenoxy)-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2943750
2-(4-chloro-2-nitrophenoxy)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 2959206
2-(3-methyl-4-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 2994786

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide (CID 3995786) is 2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1Cl)NCCc1ccccc1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide?
The InChIKey is RLBJFYIVBUBQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c17-14-10-13(19(21)22)6-7-15(14)23-11-16(20)18-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,18,20).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide?
2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide has a molecular weight of 334.76 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3995786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).