4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide

C18H17ClFNO2 — CID 68604009

IUPAC4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide
SMILESCOc1ccc(Cl)cc1-c1ccc(C(=O)NC2CCC2)c(F)c1
InChIInChI=1S/C18H17ClFNO2/c1-23-17-8-6-12(19)10-15(17)11-5-7-14(16(20)9-11)18(22)21-13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H,21,22)
InChIKeyPSDJFHDBBZRRCK-UHFFFAOYSA-N
MW333.79 g/mol
LogP4.44
Rot. Bonds4

About 4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide

4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide (PubChem CID 68604009) has the molecular formula C18H17ClFNO2 and a molecular weight of 333.79 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide
PubChem CID68604009
Molecular FormulaC18H17ClFNO2
Molecular Weight333.79 g/mol
Exact Mass333.09
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide
SMILESCOc1ccc(Cl)cc1-c1ccc(C(=O)NC2CCC2)c(F)c1
InChIInChI=1S/C18H17ClFNO2/c1-23-17-8-6-12(19)10-15(17)11-5-7-14(16(20)9-11)18(22)21-13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H,21,22)
InChIKeyPSDJFHDBBZRRCK-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide (CID 68604009) is 4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide is COc1ccc(Cl)cc1-c1ccc(C(=O)NC2CCC2)c(F)c1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide?
The InChIKey is PSDJFHDBBZRRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO2/c1-23-17-8-6-12(19)10-15(17)11-5-7-14(16(20)9-11)18(22)21-13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H,21,22).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide?
4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide has a molecular weight of 333.79 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-cyclobutyl-2-fluorobenzamide is sourced from PubChem (CID 68604009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).