2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

C18H17FN2O4 — CID 120977242

IUPAC2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O4/c19-12-1-3-13(4-2-12)25-16-9-11(7-8-20-16)10-21-17(22)14-5-6-15(14)18(23)24/h1-4,7-9,14-15H,5-6,10H2,(H,21,22)(H,23,24)
InChIKeyILQZULWHSYIQNL-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.74
Rot. Bonds6

About 2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977242) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977242
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O4/c19-12-1-3-13(4-2-12)25-16-9-11(7-8-20-16)10-21-17(22)14-5-6-15(14)18(23)24/h1-4,7-9,14-15H,5-6,10H2,(H,21,22)(H,23,24)
InChIKeyILQZULWHSYIQNL-UHFFFAOYSA-N
XLogP2.74
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977266
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962449
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 55888074
N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide
CID 51104118
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962448
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 2933604
(2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide
CID 95326110
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111231831
(2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide
CID 95155906
(2R)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide
CID 95155907
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 119847892

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120977242) is 2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is ILQZULWHSYIQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c19-12-1-3-13(4-2-12)25-16-9-11(7-8-20-16)10-21-17(22)14-5-6-15(14)18(23)24/h1-4,7-9,14-15H,5-6,10H2,(H,21,22)(H,23,24).
What are the key properties of 2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 344.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).