4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one

C17H17Cl2NO — CID 107311478

IUPAC4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one
SMILESCC(CC(=O)Cc1cccc(Cl)c1Cl)c1ccc(N)cc1
InChIInChI=1S/C17H17Cl2NO/c1-11(12-5-7-14(20)8-6-12)9-15(21)10-13-3-2-4-16(18)17(13)19/h2-8,11H,9-10,20H2,1H3
InChIKeyCMBMHSWZYFTNKJ-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.88
Rot. Bonds5

About 4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one

4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one (PubChem CID 107311478) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one
PubChem CID107311478
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one
SMILESCC(CC(=O)Cc1cccc(Cl)c1Cl)c1ccc(N)cc1
InChIInChI=1S/C17H17Cl2NO/c1-11(12-5-7-14(20)8-6-12)9-15(21)10-13-3-2-4-16(18)17(13)19/h2-8,11H,9-10,20H2,1H3
InChIKeyCMBMHSWZYFTNKJ-UHFFFAOYSA-N
XLogP4.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)-1-(2-chloro-3-fluorophenyl)pentan-2-one
CID 116612829
4-(4-aminophenyl)-1-(2,6-difluorophenyl)pentan-2-one
CID 114935521
4-(4-aminophenyl)-1-thiophen-2-ylpentan-2-one
CID 116612699
1-(4-aminophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107308085
2-(4-aminophenyl)oct-7-yn-4-one
CID 116612816
1-(2,3-dichlorophenyl)-3-(propan-2-ylamino)propan-2-one
CID 107311300
1-butan-2-ylsulfanyl-3-(2,3-dichlorophenyl)propan-2-one
CID 107307896
1-(2,3-dichlorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 107308075
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
3-(4-aminophenyl)-1-cyclopentylbutan-1-one
CID 116612653
1-(2,3-dichlorophenyl)-3-methoxypentan-2-one
CID 107308022

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one?
The IUPAC name of 4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one (CID 107311478) is 4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one.
What is the SMILES notation for 4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one?
The canonical SMILES for 4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one is CC(CC(=O)Cc1cccc(Cl)c1Cl)c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one?
The InChIKey is CMBMHSWZYFTNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-11(12-5-7-14(20)8-6-12)9-15(21)10-13-3-2-4-16(18)17(13)19/h2-8,11H,9-10,20H2,1H3.
What are the key properties of 4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one?
4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one has a molecular weight of 322.24 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-1-(2,3-dichlorophenyl)pentan-2-one is sourced from PubChem (CID 107311478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).