2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

C20H20FNO4 — CID 120975148

IUPAC2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC1C(=O)O)c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C20H20FNO4/c1-12(22-19(23)15-8-9-16(15)20(24)25)13-7-10-18(17(21)11-13)26-14-5-3-2-4-6-14/h2-7,10-12,15-16H,8-9H2,1H3,(H,22,23)(H,24,25)
InChIKeyMSQFOCQUTNAOFP-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.91
Rot. Bonds6

About 2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975148) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975148
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC1C(=O)O)c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C20H20FNO4/c1-12(22-19(23)15-8-9-16(15)20(24)25)13-7-10-18(17(21)11-13)26-14-5-3-2-4-6-14/h2-7,10-12,15-16H,8-9H2,1H3,(H,22,23)(H,24,25)
InChIKeyMSQFOCQUTNAOFP-UHFFFAOYSA-N
XLogP3.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 100642402
2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide
CID 86814049
2-[1-(3,4-difluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 126786554
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119292625
cis-(1S,2R)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51708004
1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119729498
2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978075
cis-(1R,2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716099
trans-(1R,2R)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716098
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119729502
2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976401
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120975148) is 2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is CC(NC(=O)C1CCC1C(=O)O)c1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of 2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is MSQFOCQUTNAOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-12(22-19(23)15-8-9-16(15)20(24)25)13-7-10-18(17(21)11-13)26-14-5-3-2-4-6-14/h2-7,10-12,15-16H,8-9H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 357.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).