N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide

C24H25FN2O4 — CID 97076051

IUPACN-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide
SMILESCC(C)(CO)[C@H](CNC(=O)c1ccc(F)cc1NC(=O)c1ccoc1)c1ccccc1
InChIInChI=1S/C24H25FN2O4/c1-24(2,15-28)20(16-6-4-3-5-7-16)13-26-23(30)19-9-8-18(25)12-21(19)27-22(29)17-10-11-31-14-17/h3-12,14,20,28H,13,15H2,1-2H3,(H,26,30)(H,27,29)/t20-/m1/s1
InChIKeyQOYBNXSKXWREDY-HXUWFJFHSA-N
MW424.47 g/mol
LogP4.20
Rot. Bonds8

About N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide

N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide (PubChem CID 97076051) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide
PubChem CID97076051
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC NameN-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide
SMILESCC(C)(CO)[C@H](CNC(=O)c1ccc(F)cc1NC(=O)c1ccoc1)c1ccccc1
InChIInChI=1S/C24H25FN2O4/c1-24(2,15-28)20(16-6-4-3-5-7-16)13-26-23(30)19-9-8-18(25)12-21(19)27-22(29)17-10-11-31-14-17/h3-12,14,20,28H,13,15H2,1-2H3,(H,26,30)(H,27,29)/t20-/m1/s1
InChIKeyQOYBNXSKXWREDY-HXUWFJFHSA-N
XLogP4.20
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide with MolForge

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Related Compounds

N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide
CID 51964743
N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 126775116
N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 102560447
2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide
CID 97067577
N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99696573
N-[5-fluoro-2-(oxan-4-ylcarbamoyl)phenyl]furan-3-carboxamide
CID 71938630
N-[2-(azocane-1-carbonyl)-5-fluorophenyl]furan-3-carboxamide
CID 71892546
N-[2-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 34751154
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide
CID 60803152
3-(furan-3-carbonylamino)-2-phenylpropanoic acid
CID 62883834
N-(2-bromo-4-fluorophenyl)furan-3-carboxamide
CID 28938638
N-[2-(2-phenylethylcarbamoyl)phenyl]furan-3-carboxamide
CID 18102051

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide?
The IUPAC name of N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide (CID 97076051) is N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide is CC(C)(CO)[C@H](CNC(=O)c1ccc(F)cc1NC(=O)c1ccoc1)c1ccccc1.
What is the InChIKey of N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide?
The InChIKey is QOYBNXSKXWREDY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-24(2,15-28)20(16-6-4-3-5-7-16)13-26-23(30)19-9-8-18(25)12-21(19)27-22(29)17-10-11-31-14-17/h3-12,14,20,28H,13,15H2,1-2H3,(H,26,30)(H,27,29)/t20-/m1/s1.
What are the key properties of N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide?
N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-[[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]carbamoyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 97076051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).