4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one

C16H15ClFNO — CID 105396454

IUPAC4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one
SMILESNC(CCC(=O)c1cc(F)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H15ClFNO/c17-14-7-6-12(18)10-13(14)16(20)9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15H,8-9,19H2
InChIKeyVXIGMVHNPPUPIM-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.14
Rot. Bonds5

About 4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one

4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one (PubChem CID 105396454) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one
PubChem CID105396454
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one
SMILESNC(CCC(=O)c1cc(F)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H15ClFNO/c17-14-7-6-12(18)10-13(14)16(20)9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15H,8-9,19H2
InChIKeyVXIGMVHNPPUPIM-UHFFFAOYSA-N
XLogP4.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1,4-diphenylbutan-1-one
CID 116570833
3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 105396542
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one
CID 105396458
1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one
CID 114029059
1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one
CID 105396768
4-amino-4-(2-chloro-4-fluorophenyl)butanoic acid
CID 84695091
4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one
CID 116570738
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105396704
4-amino-N-[(3-fluorophenyl)methyl]-4-phenylbutanamide
CID 63324328
1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
CID 105394415

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one?
The IUPAC name of 4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one (CID 105396454) is 4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one.
What is the SMILES notation for 4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one?
The canonical SMILES for 4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one is NC(CCC(=O)c1cc(F)ccc1Cl)c1ccccc1.
What is the InChIKey of 4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one?
The InChIKey is VXIGMVHNPPUPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-14-7-6-12(18)10-13(14)16(20)9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15H,8-9,19H2.
What are the key properties of 4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one?
4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one has a molecular weight of 291.75 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one is sourced from PubChem (CID 105396454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).