3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid

C15H18FNO3 — CID 103549907

IUPAC3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ccccc1F)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C15H18FNO3/c1-17(9-12-4-2-3-5-13(12)16)14(18)10-6-7-11(8-10)15(19)20/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyKFCDTIDSSUPJBS-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.29
Rot. Bonds4

About 3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid

3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103549907) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103549907
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ccccc1F)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C15H18FNO3/c1-17(9-12-4-2-3-5-13(12)16)14(18)10-6-7-11(8-10)15(19)20/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyKFCDTIDSSUPJBS-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103549907) is 3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid is CN(Cc1ccccc1F)C(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is KFCDTIDSSUPJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-17(9-12-4-2-3-5-13(12)16)14(18)10-6-7-11(8-10)15(19)20/h2-5,10-11H,6-9H2,1H3,(H,19,20).
What are the key properties of 3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid?
3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).