1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone

C16H16FNO — CID 67351553

IUPAC1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone
SMILESCC(NCC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H16FNO/c1-12(13-6-3-2-4-7-13)18-11-16(19)14-8-5-9-15(17)10-14/h2-10,12,18H,11H2,1H3
InChIKeyAAHMACLFYBVAQH-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.36
Rot. Bonds5

About 1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone

1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone (PubChem CID 67351553) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone
PubChem CID67351553
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone
SMILESCC(NCC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H16FNO/c1-12(13-6-3-2-4-7-13)18-11-16(19)14-8-5-9-15(17)10-14/h2-10,12,18H,11H2,1H3
InChIKeyAAHMACLFYBVAQH-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoic acid
CID 103258711
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
CID 82104513
3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid
CID 81351937
2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60694421
2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone
CID 2385109
2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 60696807
3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide
CID 42703749
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328410
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
(3R)-1-(3-fluorophenyl)-3-iodobutan-1-one
CID 143250883
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81365572

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone (CID 67351553) is 1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone is CC(NCC(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone?
The InChIKey is AAHMACLFYBVAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-12(13-6-3-2-4-7-13)18-11-16(19)14-8-5-9-15(17)10-14/h2-10,12,18H,11H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone?
1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone has a molecular weight of 257.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone is sourced from PubChem (CID 67351553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).