2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid

C19H18FNO4 — CID 166292476

IUPAC2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1CC(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C19H18FNO4/c20-14-1-5-16(6-2-14)25-17-7-3-15(4-8-17)21-19(24)13-9-12(10-13)11-18(22)23/h1-8,12-13H,9-11H2,(H,21,24)(H,22,23)
InChIKeyGXQSEGWCMCFRRS-UHFFFAOYSA-N
MW343.35 g/mol
LogP4.06
Rot. Bonds6

About 2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid

2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid (PubChem CID 166292476) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid
PubChem CID166292476
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1CC(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C19H18FNO4/c20-14-1-5-16(6-2-14)25-17-7-3-15(4-8-17)21-19(24)13-9-12(10-13)11-18(22)23/h1-8,12-13H,9-11H2,(H,21,24)(H,22,23)
InChIKeyGXQSEGWCMCFRRS-UHFFFAOYSA-N
XLogP4.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
(1S)-3-benzyl-N-[4-(4-fluorophenoxy)phenyl]-5-[2-(triazol-1-yl)acetyl]cycloheptane-1-carboxamide
CID 143978887
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
N-[4-(3-fluorophenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119299172
2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid
CID 166292539
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 7999133
(2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 67010605
1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119768106

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid (CID 166292476) is 2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid is O=C(O)CC1CC(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)C1.
What is the InChIKey of 2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid?
The InChIKey is GXQSEGWCMCFRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c20-14-1-5-16(6-2-14)25-17-7-3-15(4-8-17)21-19(24)13-9-12(10-13)11-18(22)23/h1-8,12-13H,9-11H2,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid?
2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid has a molecular weight of 343.35 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid is sourced from PubChem (CID 166292476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).