2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide

C15H19ClFNO2 — CID 77085492

IUPAC2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide
SMILESCOC1CCC(NC(=O)Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H19ClFNO2/c1-20-13-6-4-12(5-7-13)18-15(19)8-10-2-3-11(17)9-14(10)16/h2-3,9,12-13H,4-8H2,1H3,(H,18,19)
InChIKeyNREWXSLHFXEZLE-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.10
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide

2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide (PubChem CID 77085492) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide
PubChem CID77085492
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide
SMILESCOC1CCC(NC(=O)Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H19ClFNO2/c1-20-13-6-4-12(5-7-13)18-15(19)8-10-2-3-11(17)9-14(10)16/h2-3,9,12-13H,4-8H2,1H3,(H,18,19)
InChIKeyNREWXSLHFXEZLE-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide (CID 77085492) is 2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide is COC1CCC(NC(=O)Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide?
The InChIKey is NREWXSLHFXEZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-20-13-6-4-12(5-7-13)18-15(19)8-10-2-3-11(17)9-14(10)16/h2-3,9,12-13H,4-8H2,1H3,(H,18,19).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide?
2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide has a molecular weight of 299.77 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-(4-methoxycyclohexyl)acetamide is sourced from PubChem (CID 77085492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).