2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide

C16H15ClFNO — CID 4878422

IUPAC2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO/c1-11(12-6-8-14(18)9-7-12)19-16(20)10-13-4-2-3-5-15(13)17/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyCQHBGEHXRMCKGH-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.90
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide

2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 4878422) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID4878422
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO/c1-11(12-6-8-14(18)9-7-12)19-16(20)10-13-4-2-3-5-15(13)17/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyCQHBGEHXRMCKGH-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 4878422) is 2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)Cc1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is CQHBGEHXRMCKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-11(12-6-8-14(18)9-7-12)19-16(20)10-13-4-2-3-5-15(13)17/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 291.75 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 4878422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).