1-[2-(benzylamino)-6-fluorophenyl]ethanone

C15H14FNO — CID 52521850

IUPAC1-[2-(benzylamino)-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NCc1ccccc1
InChIInChI=1S/C15H14FNO/c1-11(18)15-13(16)8-5-9-14(15)17-10-12-6-3-2-4-7-12/h2-9,17H,10H2,1H3
InChIKeyZGWHJKMOYPPECI-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.64
Rot. Bonds4

About 1-[2-(benzylamino)-6-fluorophenyl]ethanone

1-[2-(benzylamino)-6-fluorophenyl]ethanone (PubChem CID 52521850) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-[2-(benzylamino)-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(benzylamino)-6-fluorophenyl]ethanone
PubChem CID52521850
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name1-[2-(benzylamino)-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1NCc1ccccc1
InChIInChI=1S/C15H14FNO/c1-11(18)15-13(16)8-5-9-14(15)17-10-12-6-3-2-4-7-12/h2-9,17H,10H2,1H3
InChIKeyZGWHJKMOYPPECI-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-[(2-phenylmethoxy-4-pyridinyl)methylamino]phenyl]ethanone
CID 60505202
2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid
CID 79522270
1-[2-fluoro-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]phenyl]ethanone
CID 133331272
2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
CID 79522747
N-benzyl-2,3-difluoroaniline
CID 21321341
2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid
CID 58989809
1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one
CID 47981818
2-(benzylamino)-6-fluorobenzenecarboximidamide
CID 82253404
1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone
CID 75442202
1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone
CID 133434709
1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone
CID 52679199
1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone
CID 78897897

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(benzylamino)-6-fluorophenyl]ethanone (CID 52521850) is 1-[2-(benzylamino)-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(benzylamino)-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(benzylamino)-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1NCc1ccccc1.
What is the InChIKey of 1-[2-(benzylamino)-6-fluorophenyl]ethanone?
The InChIKey is ZGWHJKMOYPPECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-11(18)15-13(16)8-5-9-14(15)17-10-12-6-3-2-4-7-12/h2-9,17H,10H2,1H3.
What are the key properties of 1-[2-(benzylamino)-6-fluorophenyl]ethanone?
1-[2-(benzylamino)-6-fluorophenyl]ethanone has a molecular weight of 243.28 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)-6-fluorophenyl]ethanone is sourced from PubChem (CID 52521850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).