1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one

C21H26FNO — CID 143676805

IUPAC1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one
SMILESCC(C)NC(Cc1ccc(-c2ccccc2F)cc1)C(=O)C(C)C
InChIInChI=1S/C21H26FNO/c1-14(2)21(24)20(23-15(3)4)13-16-9-11-17(12-10-16)18-7-5-6-8-19(18)22/h5-12,14-15,20,23H,13H2,1-4H3
InChIKeyVVBLRKYPNBXNKA-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.63
Rot. Bonds7

About 1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one

1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one (PubChem CID 143676805) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one
PubChem CID143676805
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one
SMILESCC(C)NC(Cc1ccc(-c2ccccc2F)cc1)C(=O)C(C)C
InChIInChI=1S/C21H26FNO/c1-14(2)21(24)20(23-15(3)4)13-16-9-11-17(12-10-16)18-7-5-6-8-19(18)22/h5-12,14-15,20,23H,13H2,1-4H3
InChIKeyVVBLRKYPNBXNKA-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-fluorophenyl)phenyl]-3-methylbutan-2-one
CID 82541250
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide
CID 171756988
2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride
CID 118157927
N-[(1R)-1-cyclohexylethyl]-2-[4-(2-fluorophenyl)phenyl]acetamide
CID 59529154
4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one
CID 59838371
(2S)-4-methyl-2-(propan-2-ylamino)-1-[4-(pyridin-2-ylmethoxy)phenyl]pentan-3-one
CID 59915344
4-phenyl-3-(propan-2-ylamino)butan-2-one
CID 70861982
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966
4-(4-chlorophenyl)-3-(propan-2-ylamino)butan-2-one
CID 59295770
2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfinyl]-3-phenylpropanoic acid
CID 172695903
3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid
CID 117399352
1,4-bis(2-fluorophenyl)benzene
CID 58121760

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one?
The IUPAC name of 1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one (CID 143676805) is 1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one is CC(C)NC(Cc1ccc(-c2ccccc2F)cc1)C(=O)C(C)C.
What is the InChIKey of 1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one?
The InChIKey is VVBLRKYPNBXNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c1-14(2)21(24)20(23-15(3)4)13-16-9-11-17(12-10-16)18-7-5-6-8-19(18)22/h5-12,14-15,20,23H,13H2,1-4H3.
What are the key properties of 1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one?
1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one has a molecular weight of 327.44 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one is sourced from PubChem (CID 143676805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).