3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one

C16H15ClFNO — CID 105396542

IUPAC3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one
SMILESCC(C(=O)c1cc(F)ccc1Cl)C(N)c1ccccc1
InChIInChI=1S/C16H15ClFNO/c1-10(15(19)11-5-3-2-4-6-11)16(20)13-9-12(18)7-8-14(13)17/h2-10,15H,19H2,1H3
InChIKeyZNKTWYOSERSXBY-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.00
Rot. Bonds4

About 3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one

3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one (PubChem CID 105396542) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one
PubChem CID105396542
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one
SMILESCC(C(=O)c1cc(F)ccc1Cl)C(N)c1ccccc1
InChIInChI=1S/C16H15ClFNO/c1-10(15(19)11-5-3-2-4-6-11)16(20)13-9-12(18)7-8-14(13)17/h2-10,15H,19H2,1H3
InChIKeyZNKTWYOSERSXBY-UHFFFAOYSA-N
XLogP4.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one
CID 114029059
3-amino-1-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116599000
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
3-amino-1-(3-chlorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116599007
3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116598880
4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one
CID 105396454
1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
CID 105394415
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119717498
3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one
CID 116598935
3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119796287
3-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119745654

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one (CID 105396542) is 3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one is CC(C(=O)c1cc(F)ccc1Cl)C(N)c1ccccc1.
What is the InChIKey of 3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one?
The InChIKey is ZNKTWYOSERSXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-10(15(19)11-5-3-2-4-6-11)16(20)13-9-12(18)7-8-14(13)17/h2-10,15H,19H2,1H3.
What are the key properties of 3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one?
3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one has a molecular weight of 291.75 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 105396542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).