3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one

C16H15Cl2NO — CID 107311328

IUPAC3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one
SMILESCC(N)(C(=O)Cc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2NO/c1-16(19,12-7-3-2-4-8-12)14(20)10-11-6-5-9-13(17)15(11)18/h2-9H,10,19H2,1H3
InChIKeyYAASQHJMGBJIBX-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.98
Rot. Bonds4

About 3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one

3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one (PubChem CID 107311328) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one.

Molecular Properties

Compound Name3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one
PubChem CID107311328
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one
SMILESCC(N)(C(=O)Cc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2NO/c1-16(19,12-7-3-2-4-8-12)14(20)10-11-6-5-9-13(17)15(11)18/h2-9H,10,19H2,1H3
InChIKeyYAASQHJMGBJIBX-UHFFFAOYSA-N
XLogP3.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-chloro-5-fluorophenyl)-3-phenylbutan-2-one
CID 102622094
1-(2,3-dichlorophenyl)-2-phenylpropan-2-amine
CID 107307722
1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one
CID 130757125
5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one
CID 107311350
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
1,2-dichloro-3-(2,2-dichloro-2-phenylethyl)benzene
CID 99118733
2-amino-2-phenylhexan-3-one
CID 116563859
3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-phenylbutan-2-one
CID 116564062
3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-phenylbutan-2-one
CID 116563879
N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63451747
3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one
CID 116563898
3-amino-1-(2-chlorophenyl)-3-methylhexan-2-one
CID 116557106

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one?
The IUPAC name of 3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one (CID 107311328) is 3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one.
What is the SMILES notation for 3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one?
The canonical SMILES for 3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one is CC(N)(C(=O)Cc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one?
The InChIKey is YAASQHJMGBJIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-16(19,12-7-3-2-4-8-12)14(20)10-11-6-5-9-13(17)15(11)18/h2-9H,10,19H2,1H3.
What are the key properties of 3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one?
3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one has a molecular weight of 308.21 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one is sourced from PubChem (CID 107311328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).