2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid

C17H20FNO4 — CID 120976524

IUPAC2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C17H20FNO4/c18-12-3-1-2-11(10-12)17(6-8-23-9-7-17)19-15(20)13-4-5-14(13)16(21)22/h1-3,10,13-14H,4-9H2,(H,19,20)(H,21,22)
InChIKeyLDLDBEIBPRCAND-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.06
Rot. Bonds4

About 2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976524) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976524
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC Name2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C17H20FNO4/c18-12-3-1-2-11(10-12)17(6-8-23-9-7-17)19-15(20)13-4-5-14(13)16(21)22/h1-3,10,13-14H,4-9H2,(H,19,20)(H,21,22)
InChIKeyLDLDBEIBPRCAND-UHFFFAOYSA-N
XLogP2.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-fluorophenyl)oxan-4-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 139005167
N-[4-(3-fluorophenyl)oxan-4-yl]furan-3-carboxamide
CID 71993760
4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide
CID 119342225
trans-(1R,2R)-N-[4-(3-bromophenyl)oxan-4-yl]-2-cyclopropylcyclopropane-1-carboxamide
CID 97010988
N-[4-(3-fluorophenyl)oxan-4-yl]formamide
CID 175327323
2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid
CID 119187111
N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 99819235
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993748
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023436
N-[1-(3-fluorophenyl)cyclopropyl]piperidine-2-carboxamide
CID 110482396
cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
CID 126798249

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120976524) is 2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is LDLDBEIBPRCAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4/c18-12-3-1-2-11(10-12)17(6-8-23-9-7-17)19-15(20)13-4-5-14(13)16(21)22/h1-3,10,13-14H,4-9H2,(H,19,20)(H,21,22).
What are the key properties of 2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 321.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).