2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide

C16H16ClNO3 — CID 602768

IUPAC2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-20-12-6-8-13(9-7-12)21-11-10-18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyKWQSQLFBFCBZJL-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.16
Rot. Bonds6

About 2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide

2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide (PubChem CID 602768) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide
PubChem CID602768
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-20-12-6-8-13(9-7-12)21-11-10-18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyKWQSQLFBFCBZJL-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide (CID 602768) is 2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide is COc1ccc(OCCNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The InChIKey is KWQSQLFBFCBZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-12-6-8-13(9-7-12)21-11-10-18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide has a molecular weight of 305.76 g/mol, XLogP of 3.16, 6 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-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 602768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).