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

C18H17ClFNO — CID 42266005

IUPAC2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17ClFNO/c19-15-5-1-13(2-6-15)11-17(22)21-12-18(9-10-18)14-3-7-16(20)8-4-14/h1-8H,9-12H2,(H,21,22)
InChIKeyLLYOFWUQMPQZRZ-UHFFFAOYSA-N
MW317.79 g/mol
LogP3.87
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide (PubChem CID 42266005) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
PubChem CID42266005
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17ClFNO/c19-15-5-1-13(2-6-15)11-17(22)21-12-18(9-10-18)14-3-7-16(20)8-4-14/h1-8H,9-12H2,(H,21,22)
InChIKeyLLYOFWUQMPQZRZ-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide (CID 42266005) is 2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide?
The InChIKey is LLYOFWUQMPQZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-15-5-1-13(2-6-15)11-17(22)21-12-18(9-10-18)14-3-7-16(20)8-4-14/h1-8H,9-12H2,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide?
2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide has a molecular weight of 317.79 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 42266005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).