4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid

C17H20FNO3 — CID 166275594

IUPAC4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid
SMILESO=C(O)C12CCC(C(=O)NCC(F)c3ccccc3)(CC1)C2
InChIInChI=1S/C17H20FNO3/c18-13(12-4-2-1-3-5-12)10-19-14(20)16-6-8-17(11-16,9-7-16)15(21)22/h1-5,13H,6-11H2,(H,19,20)(H,21,22)
InChIKeySEVDGSPHAWGTNE-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.85
Rot. Bonds5

About 4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid

4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 166275594) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID166275594
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid
SMILESO=C(O)C12CCC(C(=O)NCC(F)c3ccccc3)(CC1)C2
InChIInChI=1S/C17H20FNO3/c18-13(12-4-2-1-3-5-12)10-19-14(20)16-6-8-17(11-16,9-7-16)15(21)22/h1-5,13H,6-11H2,(H,19,20)(H,21,22)
InChIKeySEVDGSPHAWGTNE-UHFFFAOYSA-N
XLogP2.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid
CID 135221495
1-(2-phenylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 75500959
4-[[3-(3-fluorophenyl)-2-hydroxypropyl]carbamoyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 167890612
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108971193
N-(2-amino-2-phenylethyl)-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 119529565
N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide
CID 119529111
1-amino-N-(2,3-diphenylpropyl)cyclopentane-1-carboxamide
CID 119335236
1-amino-N-(2-hydroxy-2-phenylethyl)cyclohexane-1-carboxamide
CID 43500059
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
1-amino-N-(2-methoxy-2-phenylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119278900
1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
CID 55368593
N-(2-amino-2-phenylethyl)-2-methylthiolane-2-carboxamide
CID 81452923

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of 4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid (CID 166275594) is 4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for 4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid is O=C(O)C12CCC(C(=O)NCC(F)c3ccccc3)(CC1)C2.
What is the InChIKey of 4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is SEVDGSPHAWGTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c18-13(12-4-2-1-3-5-12)10-19-14(20)16-6-8-17(11-16,9-7-16)15(21)22/h1-5,13H,6-11H2,(H,19,20)(H,21,22).
What are the key properties of 4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid?
4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 166275594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).