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

C11H13Cl2NO — CID 116583907

IUPAC3-amino-1-(3,4-dichlorophenyl)pentan-2-one
SMILESCCC(N)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-2-10(14)11(15)6-7-3-4-8(12)9(13)5-7/h3-5,10H,2,6,14H2,1H3
InChIKeyDKHZDMWWHYGNBY-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.84
Rot. Bonds4

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

3-amino-1-(3,4-dichlorophenyl)pentan-2-one (PubChem CID 116583907) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 3-amino-1-(3,4-dichlorophenyl)pentan-2-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dichlorophenyl)pentan-2-one
PubChem CID116583907
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name3-amino-1-(3,4-dichlorophenyl)pentan-2-one
SMILESCCC(N)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-2-10(14)11(15)6-7-3-4-8(12)9(13)5-7/h3-5,10H,2,6,14H2,1H3
InChIKeyDKHZDMWWHYGNBY-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,5-dichlorophenyl)pentan-2-one
CID 116584058
1-(3,4-dichlorophenyl)-3-hydroxyhexan-2-one
CID 103453814
3-amino-1-(4-chloro-3-fluorophenyl)hexan-2-one
CID 107890466
1-(3,4-dichlorophenyl)-3-ethoxyhexan-2-one
CID 116707862
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
(3S)-3-amino-1-(3,4-dichlorophenyl)-4-(1H-imidazol-5-yl)butan-2-one;tetrahydrochloride
CID 90664294
1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one
CID 107884157
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide
CID 78773290
1-(3-chloro-4-fluorophenyl)-3-ethylpentan-2-one
CID 103042772
3-amino-1-(3-chloro-4-fluorophenyl)butan-2-one
CID 103042495
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dichlorophenyl)pentan-2-one?
The IUPAC name of 3-amino-1-(3,4-dichlorophenyl)pentan-2-one (CID 116583907) is 3-amino-1-(3,4-dichlorophenyl)pentan-2-one.
What is the SMILES notation for 3-amino-1-(3,4-dichlorophenyl)pentan-2-one?
The canonical SMILES for 3-amino-1-(3,4-dichlorophenyl)pentan-2-one is CCC(N)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-1-(3,4-dichlorophenyl)pentan-2-one?
The InChIKey is DKHZDMWWHYGNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-2-10(14)11(15)6-7-3-4-8(12)9(13)5-7/h3-5,10H,2,6,14H2,1H3.
What are the key properties of 3-amino-1-(3,4-dichlorophenyl)pentan-2-one?
3-amino-1-(3,4-dichlorophenyl)pentan-2-one has a molecular weight of 246.14 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dichlorophenyl)pentan-2-one is sourced from PubChem (CID 116583907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).