2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid

C19H20FNO3 — CID 143636511

IUPAC2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
SMILESNC(=O)C1C2CC3C(CC(=O)O)(c4ccc(F)cc4)C4CC1C34C2
InChIInChI=1S/C19H20FNO3/c20-11-3-1-10(2-4-11)18(8-15(22)23)13-5-9-7-19(13)12(6-14(18)19)16(9)17(21)24/h1-4,9,12-14,16H,5-8H2,(H2,21,24)(H,22,23)
InChIKeyWPRQRBWQZVGAGT-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.32
Rot. Bonds4

About 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid

2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid (PubChem CID 143636511) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid.

Molecular Properties

Compound Name2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
PubChem CID143636511
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
SMILESNC(=O)C1C2CC3C(CC(=O)O)(c4ccc(F)cc4)C4CC1C34C2
InChIInChI=1S/C19H20FNO3/c20-11-3-1-10(2-4-11)18(8-15(22)23)13-5-9-7-19(13)12(6-14(18)19)16(9)17(21)24/h1-4,9,12-14,16H,5-8H2,(H2,21,24)(H,22,23)
InChIKeyWPRQRBWQZVGAGT-UHFFFAOYSA-N
XLogP2.32
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[10-Carbamoyl-4-(4-fluorophenyl)-4-tricyclo[5.2.1.03,8]decanyl]acetic acid
CID 71128932
2-[4-(4-Fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
CID 143636550
2-[4-(4-Fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
CID 143636577
2-[(2S,5S)-5-acetamido-2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
CID 148403312
2-[4-(4-Fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]propanedioic acid
CID 149110137
6-(Difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid
CID 162754764
Methyl 5-(fluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylate
CID 163848532
10,10-Difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid
CID 166908969
6,6-Difluoro-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
CID 166985354
6-[1-Carbamoyl-3-(2-phenylpropyl)-2-bicyclo[2.2.1]heptanyl]hexanoic acid
CID 70466935
2-(10-Oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid
CID 71128935
5-Ethyl-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxamide
CID 130269435

Frequently Asked Questions

What is the IUPAC name of 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid?
The IUPAC name of 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid (CID 143636511) is 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid.
What is the SMILES notation for 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid?
The canonical SMILES for 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid is NC(=O)C1C2CC3C(CC(=O)O)(c4ccc(F)cc4)C4CC1C34C2.
What is the InChIKey of 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid?
The InChIKey is WPRQRBWQZVGAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-11-3-1-10(2-4-11)18(8-15(22)23)13-5-9-7-19(13)12(6-14(18)19)16(9)17(21)24/h1-4,9,12-14,16H,5-8H2,(H2,21,24)(H,22,23).
What are the key properties of 2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid?
2-[10-carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid has a molecular weight of 329.37 g/mol, XLogP of 2.32, 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-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid is sourced from PubChem (CID 143636511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).