3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

C16H20FNO3 — CID 3109098

IUPAC3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)Nc2ccc(F)cc2)C1(C)C
InChIInChI=1S/C16H20FNO3/c1-15(2)12(8-9-16(15,3)14(20)21)13(19)18-11-6-4-10(17)5-7-11/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyMSEIWOOIEJSTAK-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.29
Rot. Bonds3

About 3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid (PubChem CID 3109098) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
PubChem CID3109098
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)Nc2ccc(F)cc2)C1(C)C
InChIInChI=1S/C16H20FNO3/c1-15(2)12(8-9-16(15,3)14(20)21)13(19)18-11-6-4-10(17)5-7-11/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyMSEIWOOIEJSTAK-UHFFFAOYSA-N
XLogP3.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid (CID 3109098) is 3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCC(C(=O)Nc2ccc(F)cc2)C1(C)C.
What is the InChIKey of 3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The InChIKey is MSEIWOOIEJSTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-15(2)12(8-9-16(15,3)14(20)21)13(19)18-11-6-4-10(17)5-7-11/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 3109098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).