2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

C20H19F2NO3 — CID 120975659

IUPAC2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H19F2NO3/c21-14-5-1-3-12(9-14)10-18(13-4-2-6-15(22)11-13)23-19(24)16-7-8-17(16)20(25)26/h1-6,9,11,16-18H,7-8,10H2,(H,23,24)(H,25,26)
InChIKeyMMXLZFHKPVXQJZ-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.48
Rot. Bonds6

About 2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975659) has the molecular formula C20H19F2NO3 and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975659
Molecular FormulaC20H19F2NO3
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H19F2NO3/c21-14-5-1-3-12(9-14)10-18(13-4-2-6-15(22)11-13)23-19(24)16-7-8-17(16)20(25)26/h1-6,9,11,16-18H,7-8,10H2,(H,23,24)(H,25,26)
InChIKeyMMXLZFHKPVXQJZ-UHFFFAOYSA-N
XLogP3.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95318346
N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide
CID 49011781
2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974597
(3S)-3-[[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 97310726
(1S,6R)-6-[1-(3-fluorophenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103710105
N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 49011755
2-[1-(2,4-difluorophenyl)butylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977047
2-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107862038
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 141220125
2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975940
cis-(1R,3S)-3-[[(1R)-2-carboxy-1-(3-fluorophenyl)ethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 124774178
cis-(1S,3R)-3-[[(1R)-2-carboxy-1-(3-fluorophenyl)ethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 98762700

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120975659) is 2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NC(Cc1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is MMXLZFHKPVXQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO3/c21-14-5-1-3-12(9-14)10-18(13-4-2-6-15(22)11-13)23-19(24)16-7-8-17(16)20(25)26/h1-6,9,11,16-18H,7-8,10H2,(H,23,24)(H,25,26).
What are the key properties of 2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 359.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).