2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone

C12H15ClFNO — CID 105396510

IUPAC2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone
SMILESCC(C)(C)NCC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H15ClFNO/c1-12(2,3)15-7-11(16)9-6-8(14)4-5-10(9)13/h4-6,15H,7H2,1-3H3
InChIKeyUCCFBSZRIZAJNW-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.05
Rot. Bonds3

About 2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone

2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone (PubChem CID 105396510) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone
PubChem CID105396510
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone
SMILESCC(C)(C)NCC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H15ClFNO/c1-12(2,3)15-7-11(16)9-6-8(14)4-5-10(9)13/h4-6,15H,7H2,1-3H3
InChIKeyUCCFBSZRIZAJNW-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one
CID 105396438
1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone
CID 105396403
1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 105396519
methyl 4-(2-chloro-5-fluorophenyl)-4-oxobutanoate
CID 146009733
1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one
CID 105396768
1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one
CID 105394318
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 116588961
3-amino-1-(2-chloro-5-fluorophenyl)-2,2,3-trimethylbutan-1-one
CID 105396463
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
1-(2-chloro-4-fluorophenyl)-3,3-dimethylbutan-1-one
CID 146009446
3-(tert-butylamino)-1-(2,4-difluorophenyl)propan-1-one
CID 116557890

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone (CID 105396510) is 2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone is CC(C)(C)NCC(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone?
The InChIKey is UCCFBSZRIZAJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-12(2,3)15-7-11(16)9-6-8(14)4-5-10(9)13/h4-6,15H,7H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone?
2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone has a molecular weight of 243.71 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone is sourced from PubChem (CID 105396510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).