4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid

C19H24FNO4 — CID 119230001

IUPAC4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2(c3ccc(F)cc3)CCOCC2)CC1
InChIInChI=1S/C19H24FNO4/c20-15-5-3-14(4-6-15)19(9-11-25-12-10-19)18(24)21-16-7-1-13(2-8-16)17(22)23/h3-6,13,16H,1-2,7-12H2,(H,21,24)(H,22,23)
InChIKeyTYIPTIZTYVGVMK-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.63
Rot. Bonds4

About 4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119230001) has the molecular formula C19H24FNO4 and a molecular weight of 349.40 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119230001
Molecular FormulaC19H24FNO4
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2(c3ccc(F)cc3)CCOCC2)CC1
InChIInChI=1S/C19H24FNO4/c20-15-5-3-14(4-6-15)19(9-11-25-12-10-19)18(24)21-16-7-1-13(2-8-16)17(22)23/h3-6,13,16H,1-2,7-12H2,(H,21,24)(H,22,23)
InChIKeyTYIPTIZTYVGVMK-UHFFFAOYSA-N
XLogP2.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677486
N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 126789566
cis-(1R,3S)-3-[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678235
4-(4-bromophenyl)-N-(oxan-4-yl)oxane-4-carboxamide
CID 169449681
4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide
CID 60582793
N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 95161026
N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide
CID 126851440
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030740
N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 71886913
4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119128032
4-(4-fluorophenyl)-N'-[(1R,2S)-2-methylcyclopropanecarbonyl]oxane-4-carbohydrazide
CID 95353416

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 119230001) is 4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)C2(c3ccc(F)cc3)CCOCC2)CC1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is TYIPTIZTYVGVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO4/c20-15-5-3-14(4-6-15)19(9-11-25-12-10-19)18(24)21-16-7-1-13(2-8-16)17(22)23/h3-6,13,16H,1-2,7-12H2,(H,21,24)(H,22,23).
What are the key properties of 4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 349.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).