2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide

C18H27FN2O — CID 86806928

IUPAC2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide
SMILESCC(C)CCC1CCCC1NC(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O/c1-12(2)6-7-13-4-3-5-16(13)21-17(18(20)22)14-8-10-15(19)11-9-14/h8-13,16-17,21H,3-7H2,1-2H3,(H2,20,22)
InChIKeySNCPXSYICPIVIM-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.55
Rot. Bonds7

About 2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide

2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide (PubChem CID 86806928) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide
PubChem CID86806928
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide
SMILESCC(C)CCC1CCCC1NC(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O/c1-12(2)6-7-13-4-3-5-16(13)21-17(18(20)22)14-8-10-15(19)11-9-14/h8-13,16-17,21H,3-7H2,1-2H3,(H2,20,22)
InChIKeySNCPXSYICPIVIM-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide (CID 86806928) is 2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide is CC(C)CCC1CCCC1NC(C(N)=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide?
The InChIKey is SNCPXSYICPIVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-12(2)6-7-13-4-3-5-16(13)21-17(18(20)22)14-8-10-15(19)11-9-14/h8-13,16-17,21H,3-7H2,1-2H3,(H2,20,22).
What are the key properties of 2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide?
2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide has a molecular weight of 306.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[[2-(3-methylbutyl)cyclopentyl]amino]acetamide is sourced from PubChem (CID 86806928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).