3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one

C15H21Cl2NO — CID 114079709

IUPAC3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one
SMILESCCC(C)N(CC)CCC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H21Cl2NO/c1-4-11(3)18(5-2)10-9-14(19)12-7-6-8-13(16)15(12)17/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyFMDZUNLXNXOAIX-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.69
Rot. Bonds7

About 3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one

3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one (PubChem CID 114079709) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one
PubChem CID114079709
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one
SMILESCCC(C)N(CC)CCC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H21Cl2NO/c1-4-11(3)18(5-2)10-9-14(19)12-7-6-8-13(16)15(12)17/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyFMDZUNLXNXOAIX-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one
CID 114079722
1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43796012
1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one
CID 114079761
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395049
2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone
CID 54941329
N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide
CID 903787
1-(2,3-dichlorophenyl)-4-(methylamino)butan-1-one
CID 116555585
N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide
CID 80665677
N,N-di(butan-2-yl)-2-chlorobenzamide
CID 4225702
1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one
CID 82778702

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one?
The IUPAC name of 3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one (CID 114079709) is 3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one.
What is the SMILES notation for 3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one?
The canonical SMILES for 3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one is CCC(C)N(CC)CCC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one?
The InChIKey is FMDZUNLXNXOAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-4-11(3)18(5-2)10-9-14(19)12-7-6-8-13(16)15(12)17/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of 3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one?
3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one has a molecular weight of 302.24 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one is sourced from PubChem (CID 114079709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).