4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide

C20H24FNO4 — CID 90605098

IUPAC4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide
SMILESCC(O)(CNC(=O)C1(c2ccc(F)cc2)CCOCC1)Cc1ccco1
InChIInChI=1S/C20H24FNO4/c1-19(24,13-17-3-2-10-26-17)14-22-18(23)20(8-11-25-12-9-20)15-4-6-16(21)7-5-15/h2-7,10,24H,8-9,11-14H2,1H3,(H,22,23)
InChIKeyPHNFCSLGRYCPCR-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.58
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide

4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide (PubChem CID 90605098) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide
PubChem CID90605098
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide
SMILESCC(O)(CNC(=O)C1(c2ccc(F)cc2)CCOCC1)Cc1ccco1
InChIInChI=1S/C20H24FNO4/c1-19(24,13-17-3-2-10-26-17)14-22-18(23)20(8-11-25-12-9-20)15-4-6-16(21)7-5-15/h2-7,10,24H,8-9,11-14H2,1H3,(H,22,23)
InChIKeyPHNFCSLGRYCPCR-UHFFFAOYSA-N
XLogP2.58
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605292
N'-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605203
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 99872633
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 103840217
4-[[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]methyl]benzoic acid
CID 119128001
1-(4-fluorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)cyclopropane-1-carboxamide
CID 111484002
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
CID 111337686
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 111520008
1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 55606445
4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119128032
N-[2-(4-aminophenyl)ethyl]-4-(4-fluorophenyl)oxane-4-carboxamide;hydrochloride
CID 119547579

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide (CID 90605098) is 4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide is CC(O)(CNC(=O)C1(c2ccc(F)cc2)CCOCC1)Cc1ccco1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide?
The InChIKey is PHNFCSLGRYCPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-19(24,13-17-3-2-10-26-17)14-22-18(23)20(8-11-25-12-9-20)15-4-6-16(21)7-5-15/h2-7,10,24H,8-9,11-14H2,1H3,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide?
4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide is sourced from PubChem (CID 90605098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).