2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid

C19H22FNO3 — CID 71128932

IUPAC2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid
SMILESNC(=O)C1C2CC3C1CCC(CC(=O)O)(c1ccc(F)cc1)C3C2
InChIInChI=1S/C19H22FNO3/c20-12-3-1-11(2-4-12)19(9-16(22)23)6-5-13-14-7-10(8-15(14)19)17(13)18(21)24/h1-4,10,13-15,17H,5-9H2,(H2,21,24)(H,22,23)
InChIKeyXTMANMFISIUOGM-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.71
Rot. Bonds4

About 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid

2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid (PubChem CID 71128932) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid.

Molecular Properties

Compound Name2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid
PubChem CID71128932
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid
SMILESNC(=O)C1C2CC3C1CCC(CC(=O)O)(c1ccc(F)cc1)C3C2
InChIInChI=1S/C19H22FNO3/c20-12-3-1-11(2-4-12)19(9-16(22)23)6-5-13-14-7-10(8-15(14)19)17(13)18(21)24/h1-4,10,13-15,17H,5-9H2,(H2,21,24)(H,22,23)
InChIKeyXTMANMFISIUOGM-UHFFFAOYSA-N
XLogP2.71
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid?
The IUPAC name of 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid (CID 71128932) is 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid.
What is the SMILES notation for 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid?
The canonical SMILES for 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid is NC(=O)C1C2CC3C1CCC(CC(=O)O)(c1ccc(F)cc1)C3C2.
What is the InChIKey of 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid?
The InChIKey is XTMANMFISIUOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c20-12-3-1-11(2-4-12)19(9-16(22)23)6-5-13-14-7-10(8-15(14)19)17(13)18(21)24/h1-4,10,13-15,17H,5-9H2,(H2,21,24)(H,22,23).
What are the key properties of 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid?
2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid has a molecular weight of 331.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid is sourced from PubChem (CID 71128932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).