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

C16H16ClNO2 — CID 2093192

IUPAC4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-15-8-2-12(3-9-15)10-11-18-16(19)13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeySHNPDVFNGYERST-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.32
Rot. Bonds5

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

4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 2093192) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID2093192
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-15-8-2-12(3-9-15)10-11-18-16(19)13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeySHNPDVFNGYERST-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 2093192) is 4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is SHNPDVFNGYERST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-15-8-2-12(3-9-15)10-11-18-16(19)13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide?
4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 289.76 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 2093192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).