2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

C14H16FNO3 — CID 120974497

IUPAC2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCCc1ccccc1F
InChIInChI=1S/C14H16FNO3/c15-12-4-2-1-3-9(12)7-8-16-13(17)10-5-6-11(10)14(18)19/h1-4,10-11H,5-8H2,(H,16,17)(H,18,19)
InChIKeyHAINHWAAUUTLBT-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974497) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974497
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCCc1ccccc1F
InChIInChI=1S/C14H16FNO3/c15-12-4-2-1-3-9(12)7-8-16-13(17)10-5-6-11(10)14(18)19/h1-4,10-11H,5-8H2,(H,16,17)(H,18,19)
InChIKeyHAINHWAAUUTLBT-UHFFFAOYSA-N
XLogP1.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552893
cis-(1S,3R)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552892
2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975402
N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47014220
3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961274
1-N-[2-(dimethylamino)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133659
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
trans-(1S,2S)-N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95271735
3-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66031268
N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131828
2-N-[3-(dimethylamino)propyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133984
2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165431

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120974497) is 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NCCc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is HAINHWAAUUTLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-4-2-1-3-9(12)7-8-16-13(17)10-5-6-11(10)14(18)19/h1-4,10-11H,5-8H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).