5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one

C17H17Cl2NO — CID 107311348

IUPAC5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one
SMILESNC(CCC(=O)Cc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C17H17Cl2NO/c18-15-8-4-7-13(17(15)19)11-14(21)9-10-16(20)12-5-2-1-3-6-12/h1-8,16H,9-11,20H2
InChIKeyMWNNIGNUVUBQKK-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.59
Rot. Bonds6

About 5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one

5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one (PubChem CID 107311348) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one.

Molecular Properties

Compound Name5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one
PubChem CID107311348
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one
SMILESNC(CCC(=O)Cc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C17H17Cl2NO/c18-15-8-4-7-13(17(15)19)11-14(21)9-10-16(20)12-5-2-1-3-6-12/h1-8,16H,9-11,20H2
InChIKeyMWNNIGNUVUBQKK-UHFFFAOYSA-N
XLogP4.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1,4-diphenylbutan-1-one
CID 116570833
5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one
CID 116570888
5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one
CID 107311350
5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one
CID 116570893
4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide
CID 63323928
5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
CID 116570826
4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one
CID 105396454
4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide
CID 114332251
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
5-(2-chlorophenyl)-4-oxopentanoic acid
CID 66338254
5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116570854
3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119736260

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one?
The IUPAC name of 5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one (CID 107311348) is 5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one.
What is the SMILES notation for 5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one?
The canonical SMILES for 5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one is NC(CCC(=O)Cc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one?
The InChIKey is MWNNIGNUVUBQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c18-15-8-4-7-13(17(15)19)11-14(21)9-10-16(20)12-5-2-1-3-6-12/h1-8,16H,9-11,20H2.
What are the key properties of 5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one?
5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one has a molecular weight of 322.24 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one is sourced from PubChem (CID 107311348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).