2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide

C10H11ClN2O3 — CID 22505904

IUPAC2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESO=C(CCl)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11ClN2O3/c11-7-10(14)12-6-5-8-1-3-9(4-2-8)13(15)16/h1-4H,5-7H2,(H,12,14)
InChIKeyPNOUKMQSZZNBJK-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.49
Rot. Bonds5

About 2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide

2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide (PubChem CID 22505904) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
PubChem CID22505904
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESO=C(CCl)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11ClN2O3/c11-7-10(14)12-6-5-8-1-3-9(4-2-8)13(15)16/h1-4H,5-7H2,(H,12,14)
InChIKeyPNOUKMQSZZNBJK-UHFFFAOYSA-N
XLogP1.49
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61219292
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 110294427
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 14180969
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N'-[2-(4-nitrophenyl)ethyl]-N-propyloxamide
CID 23279451
3-methyl-5-[2-(4-nitrophenyl)ethylamino]-5-oxopentanoic acid
CID 62965783
2-(4-nitrophenyl)ethylthiourea
CID 24973175
1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464485
2-methyl-3-[2-(4-nitrophenyl)ethylamino]-3-oxopropanoic acid
CID 114898168
N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 90558308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide (CID 22505904) is 2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide is O=C(CCl)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide?
The InChIKey is PNOUKMQSZZNBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-7-10(14)12-6-5-8-1-3-9(4-2-8)13(15)16/h1-4H,5-7H2,(H,12,14).
What are the key properties of 2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide?
2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide has a molecular weight of 242.66 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide is sourced from PubChem (CID 22505904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).