3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C14H16FNO4 — CID 64836953

IUPAC3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOc1cc(F)ccc1NC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C14H16FNO4/c1-14(2)10(11(14)13(18)19)12(17)16-8-5-4-7(15)6-9(8)20-3/h4-6,10-11H,1-3H3,(H,16,17)(H,18,19)
InChIKeyJCTWOPKPZPMJFN-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.13
Rot. Bonds4

About 3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64836953) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64836953
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOc1cc(F)ccc1NC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C14H16FNO4/c1-14(2)10(11(14)13(18)19)12(17)16-8-5-4-7(15)6-9(8)20-3/h4-6,10-11H,1-3H3,(H,16,17)(H,18,19)
InChIKeyJCTWOPKPZPMJFN-UHFFFAOYSA-N
XLogP2.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64836953) is 3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is COc1cc(F)ccc1NC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is JCTWOPKPZPMJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-14(2)10(11(14)13(18)19)12(17)16-8-5-4-7(15)6-9(8)20-3/h4-6,10-11H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64836953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).