2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide

C12H16ClFN2O — CID 83069532

IUPAC2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide
SMILESCC(NCC(=O)N(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2O/c1-8(15-7-12(17)16(2)3)9-4-5-10(13)11(14)6-9/h4-6,8,15H,7H2,1-3H3
InChIKeyOHPFPLFUMKGVIS-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.22
Rot. Bonds4

About 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide

2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide (PubChem CID 83069532) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide
PubChem CID83069532
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide
SMILESCC(NCC(=O)N(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2O/c1-8(15-7-12(17)16(2)3)9-4-5-10(13)11(14)6-9/h4-6,8,15H,7H2,1-3H3
InChIKeyOHPFPLFUMKGVIS-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214674
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214750
2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214641
N,N-dimethyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide
CID 81355442
N-[1-(4-chloro-3-fluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 82994703
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 82993925
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8637666
N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide
CID 43310888
N,N-dimethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
CID 43214735
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide (CID 83069532) is 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide is CC(NCC(=O)N(C)C)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide?
The InChIKey is OHPFPLFUMKGVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-8(15-7-12(17)16(2)3)9-4-5-10(13)11(14)6-9/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide?
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide has a molecular weight of 258.72 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 83069532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).