N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide

C16H16ClNO2 — CID 595570

IUPACN-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-12-2-4-13(5-3-12)16(19)18-10-11-20-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyYPJGXQINGQWEAO-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.46
Rot. Bonds5

About N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide

N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide (PubChem CID 595570) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide
PubChem CID595570
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-12-2-4-13(5-3-12)16(19)18-10-11-20-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyYPJGXQINGQWEAO-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide (CID 595570) is N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide?
The InChIKey is YPJGXQINGQWEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-12-2-4-13(5-3-12)16(19)18-10-11-20-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide?
N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-4-methylbenzamide is sourced from PubChem (CID 595570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).