1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one

C14H17Cl2NO — CID 116558986

IUPAC1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one
SMILESO=C(CNC1CCCC1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO/c15-13-6-3-7-14(16)12(13)8-11(18)9-17-10-4-1-2-5-10/h3,6-7,10,17H,1-2,4-5,8-9H2
InChIKeyZZCBZOBANKTHJQ-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.64
Rot. Bonds5

About 1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one

1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one (PubChem CID 116558986) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one
PubChem CID116558986
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one
SMILESO=C(CNC1CCCC1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO/c15-13-6-3-7-14(16)12(13)8-11(18)9-17-10-4-1-2-5-10/h3,6-7,10,17H,1-2,4-5,8-9H2
InChIKeyZZCBZOBANKTHJQ-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
1-(cyclopentylamino)-3-(furan-2-yl)propan-2-one
CID 116559078
1-(cyclopentylamino)-3-thiophen-2-ylpropan-2-one
CID 116558991
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
CID 130300052
1-(2-bromo-3-fluorophenyl)-3-(cyclopentylamino)propan-2-one
CID 116559142
2-(cyclopentylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 60686913
2-(2,6-dichlorophenyl)-N-(2-hydroxycyclohexyl)acetamide
CID 55063701
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2432962
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 7767193
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone
CID 60947722
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one?
The IUPAC name of 1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one (CID 116558986) is 1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one.
What is the SMILES notation for 1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one?
The canonical SMILES for 1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one is O=C(CNC1CCCC1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one?
The InChIKey is ZZCBZOBANKTHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c15-13-6-3-7-14(16)12(13)8-11(18)9-17-10-4-1-2-5-10/h3,6-7,10,17H,1-2,4-5,8-9H2.
What are the key properties of 1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one?
1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one has a molecular weight of 286.20 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(2,6-dichlorophenyl)propan-2-one is sourced from PubChem (CID 116558986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).