[4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone

C25H26FNO2 — CID 143570763

IUPAC[4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(-c3ccc(CCC(C)(N)CO)cc3)c(F)c2)cc1
InChIInChI=1S/C25H26FNO2/c1-17-3-7-20(8-4-17)24(29)21-11-12-22(23(26)15-21)19-9-5-18(6-10-19)13-14-25(2,27)16-28/h3-12,15,28H,13-14,16,27H2,1-2H3
InChIKeyHOWOHKTXPYFKRV-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.67
Rot. Bonds7

About [4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone

[4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone (PubChem CID 143570763) has the molecular formula C25H26FNO2 and a molecular weight of 391.49 g/mol. Its IUPAC name is [4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone
PubChem CID143570763
Molecular FormulaC25H26FNO2
Molecular Weight391.49 g/mol
Exact Mass391.19
IUPAC Name[4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(-c3ccc(CCC(C)(N)CO)cc3)c(F)c2)cc1
InChIInChI=1S/C25H26FNO2/c1-17-3-7-20(8-4-17)24(29)21-11-12-22(23(26)15-21)19-9-5-18(6-10-19)13-14-25(2,27)16-28/h3-12,15,28H,13-14,16,27H2,1-2H3
InChIKeyHOWOHKTXPYFKRV-UHFFFAOYSA-N
XLogP4.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57801096
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Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone (CID 143570763) is [4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(-c3ccc(CCC(C)(N)CO)cc3)c(F)c2)cc1.
What is the InChIKey of [4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone?
The InChIKey is HOWOHKTXPYFKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO2/c1-17-3-7-20(8-4-17)24(29)21-11-12-22(23(26)15-21)19-9-5-18(6-10-19)13-14-25(2,27)16-28/h3-12,15,28H,13-14,16,27H2,1-2H3.
What are the key properties of [4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone?
[4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone has a molecular weight of 391.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 143570763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).