N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C23H24FN3O2 — CID 78853637

IUPACN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)N(CCc3ccc(F)cc3)C3CCCC3)cc2)n1
InChIInChI=1S/C23H24FN3O2/c1-16-25-22(29-26-16)18-8-10-19(11-9-18)23(28)27(21-4-2-3-5-21)15-14-17-6-12-20(24)13-7-17/h6-13,21H,2-5,14-15H2,1H3
InChIKeyYUDAVNQUAAVWCR-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.81
Rot. Bonds6

About N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 78853637) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID78853637
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)N(CCc3ccc(F)cc3)C3CCCC3)cc2)n1
InChIInChI=1S/C23H24FN3O2/c1-16-25-22(29-26-16)18-8-10-19(11-9-18)23(28)27(21-4-2-3-5-21)15-14-17-6-12-20(24)13-7-17/h6-13,21H,2-5,14-15H2,1H3
InChIKeyYUDAVNQUAAVWCR-UHFFFAOYSA-N
XLogP4.81
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 78853637) is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(-c2ccc(C(=O)N(CCc3ccc(F)cc3)C3CCCC3)cc2)n1.
What is the InChIKey of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is YUDAVNQUAAVWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-16-25-22(29-26-16)18-8-10-19(11-9-18)23(28)27(21-4-2-3-5-21)15-14-17-6-12-20(24)13-7-17/h6-13,21H,2-5,14-15H2,1H3.
What are the key properties of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 393.46 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 78853637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).