2-(benzylamino)-1-(4-fluorophenyl)propan-1-one

C16H16FNO — CID 82100447

IUPAC2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
SMILESCC(NCc1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO/c1-12(18-11-13-5-3-2-4-6-13)16(19)14-7-9-15(17)10-8-14/h2-10,12,18H,11H2,1H3
InChIKeyZPZQJUDIECNSGY-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.19
Rot. Bonds5

About 2-(benzylamino)-1-(4-fluorophenyl)propan-1-one

2-(benzylamino)-1-(4-fluorophenyl)propan-1-one (PubChem CID 82100447) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(benzylamino)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
PubChem CID82100447
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
SMILESCC(NCc1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO/c1-12(18-11-13-5-3-2-4-6-13)16(19)14-7-9-15(17)10-8-14/h2-10,12,18H,11H2,1H3
InChIKeyZPZQJUDIECNSGY-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
CID 82100239
(2S)-2-(benzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 155254846
2-(benzylamino)-1-(4-methylsulfanylphenyl)propan-1-one;hydrochloride
CID 165361609
2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
CID 82100631
2-(benzylamino)-1-[4-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 172677364
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82100437
(2R)-2-(benzylamino)propanoyl chloride
CID 166639498
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one
CID 82100240
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
(2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one
CID 69303201
ethane;methyl 2-(benzylamino)propanoate
CID 91349755

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-(benzylamino)-1-(4-fluorophenyl)propan-1-one (CID 82100447) is 2-(benzylamino)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-(benzylamino)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-(benzylamino)-1-(4-fluorophenyl)propan-1-one is CC(NCc1ccccc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(benzylamino)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is ZPZQJUDIECNSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-12(18-11-13-5-3-2-4-6-13)16(19)14-7-9-15(17)10-8-14/h2-10,12,18H,11H2,1H3.
What are the key properties of 2-(benzylamino)-1-(4-fluorophenyl)propan-1-one?
2-(benzylamino)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 257.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 82100447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).