2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one

C16H21Cl2NO — CID 43796309

IUPAC2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
SMILESCCN(C1CCCC1)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2NO/c1-3-19(13-6-4-5-7-13)11(2)16(20)14-9-8-12(17)10-15(14)18/h8-11,13H,3-7H2,1-2H3
InChIKeyDCBDBDAQULHIMN-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.83
Rot. Bonds5

About 2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one

2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one (PubChem CID 43796309) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
PubChem CID43796309
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
SMILESCCN(C1CCCC1)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2NO/c1-3-19(13-6-4-5-7-13)11(2)16(20)14-9-8-12(17)10-15(14)18/h8-11,13H,3-7H2,1-2H3
InChIKeyDCBDBDAQULHIMN-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63957045
1-(2,4-dichlorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]propan-1-one
CID 63565936
2-[cyclopropylmethyl(propyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63567175
2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796353
1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one
CID 61446505
1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one
CID 63696693
1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796048
1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one
CID 63713469
1-(2,4-dichlorophenyl)-2-(2-ethylazepan-1-yl)propan-1-one
CID 104690675
2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone
CID 43794977
2-(cyclopropylamino)-1-(2,4-dichlorophenyl)propan-1-one
CID 82100516
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263776

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one (CID 43796309) is 2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one is CCN(C1CCCC1)C(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one?
The InChIKey is DCBDBDAQULHIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-3-19(13-6-4-5-7-13)11(2)16(20)14-9-8-12(17)10-15(14)18/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one?
2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one has a molecular weight of 314.26 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 43796309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).