N-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide

C16H15ClN2O3 — CID 897019

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O3/c17-14-3-1-2-12(10-14)8-9-18-16(20)11-13-4-6-15(7-5-13)19(21)22/h1-7,10H,8-9,11H2,(H,18,20)
InChIKeyDEYVMCXSCPGOIA-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide

N-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide (PubChem CID 897019) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide
PubChem CID897019
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O3/c17-14-3-1-2-12(10-14)8-9-18-16(20)11-13-4-6-15(7-5-13)19(21)22/h1-7,10H,8-9,11H2,(H,18,20)
InChIKeyDEYVMCXSCPGOIA-UHFFFAOYSA-N
XLogP3.15
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide (CID 897019) is N-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is DEYVMCXSCPGOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-14-3-1-2-12(10-14)8-9-18-16(20)11-13-4-6-15(7-5-13)19(21)22/h1-7,10H,8-9,11H2,(H,18,20).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 318.76 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 897019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).