4-amino-1-(2,5-dichlorophenyl)pentan-1-one

C11H13Cl2NO — CID 116571674

IUPAC4-amino-1-(2,5-dichlorophenyl)pentan-1-one
SMILESCC(N)CCC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-7(14)2-5-11(15)9-6-8(12)3-4-10(9)13/h3-4,6-7H,2,5,14H2,1H3
InChIKeyZHNQVNBWKCWPIO-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.30
Rot. Bonds4

About 4-amino-1-(2,5-dichlorophenyl)pentan-1-one

4-amino-1-(2,5-dichlorophenyl)pentan-1-one (PubChem CID 116571674) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 4-amino-1-(2,5-dichlorophenyl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(2,5-dichlorophenyl)pentan-1-one
PubChem CID116571674
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name4-amino-1-(2,5-dichlorophenyl)pentan-1-one
SMILESCC(N)CCC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-7(14)2-5-11(15)9-6-8(12)3-4-10(9)13/h3-4,6-7H,2,5,14H2,1H3
InChIKeyZHNQVNBWKCWPIO-UHFFFAOYSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(4-chlorophenyl)pentan-1-one
CID 116571618
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
5-amino-1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 116610213
4-amino-1-(2-chloro-4-methoxyphenyl)pentan-1-one
CID 116916226
4-amino-1-(2,5-dichlorophenyl)-3-methylbutan-1-one
CID 116596589
7-amino-1-(2,5-dichlorophenyl)heptan-1-one
CID 116551494
1-(2,5-dichlorophenyl)-3-methylpentan-1-one
CID 114874019
1-(2,5-dichlorophenyl)-3-methylsulfonylpropan-1-one
CID 114969573
1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
CID 127255589
2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide
CID 120560026
3-amino-1-(2-amino-5-chlorophenyl)butan-1-one
CID 105466420
1-(2,5-dichlorophenyl)hex-4-yn-1-one
CID 115801520

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,5-dichlorophenyl)pentan-1-one?
The IUPAC name of 4-amino-1-(2,5-dichlorophenyl)pentan-1-one (CID 116571674) is 4-amino-1-(2,5-dichlorophenyl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(2,5-dichlorophenyl)pentan-1-one?
The canonical SMILES for 4-amino-1-(2,5-dichlorophenyl)pentan-1-one is CC(N)CCC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-amino-1-(2,5-dichlorophenyl)pentan-1-one?
The InChIKey is ZHNQVNBWKCWPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-7(14)2-5-11(15)9-6-8(12)3-4-10(9)13/h3-4,6-7H,2,5,14H2,1H3.
What are the key properties of 4-amino-1-(2,5-dichlorophenyl)pentan-1-one?
4-amino-1-(2,5-dichlorophenyl)pentan-1-one has a molecular weight of 246.14 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,5-dichlorophenyl)pentan-1-one is sourced from PubChem (CID 116571674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).