2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone

C16H21Cl2NO — CID 43219722

IUPAC2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
SMILESCCN(CC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H21Cl2NO/c1-2-19(13-6-4-3-5-7-13)11-16(20)12-8-9-14(17)15(18)10-12/h8-10,13H,2-7,11H2,1H3
InChIKeyYUBCMIBPFCNYOP-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.83
Rot. Bonds5

About 2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone

2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone (PubChem CID 43219722) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
PubChem CID43219722
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
SMILESCCN(CC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H21Cl2NO/c1-2-19(13-6-4-3-5-7-13)11-16(20)12-8-9-14(17)15(18)10-12/h8-10,13H,2-7,11H2,1H3
InChIKeyYUBCMIBPFCNYOP-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-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 43796359
2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 43796358
1-(4-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794927
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794974
2-[cyclohexyl(ethyl)amino]-1-(2-methylphenyl)ethanone
CID 43794251
2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone
CID 43794977
2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649750
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone
CID 43799312
2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
CID 43797615
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113056706
2-[cyclopentyl(ethyl)amino]-1-(furan-2-yl)ethanone
CID 43796327

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone (CID 43219722) is 2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone is CCN(CC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is YUBCMIBPFCNYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-2-19(13-6-4-3-5-7-13)11-16(20)12-8-9-14(17)15(18)10-12/h8-10,13H,2-7,11H2,1H3.
What are the key properties of 2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone?
2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone 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-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 43219722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).