2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide

C10H9ClF4N2O — CID 113423474

IUPAC2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1c(F)cccc1Cl)NCC(F)(F)F
InChIInChI=1S/C10H9ClF4N2O/c11-6-2-1-3-7(12)9(6)16-4-8(18)17-5-10(13,14)15/h1-3,16H,4-5H2,(H,17,18)
InChIKeyMMGOPCGALBBUQQ-UHFFFAOYSA-N
MW284.64 g/mol
LogP2.57
Rot. Bonds4

About 2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113423474) has the molecular formula C10H9ClF4N2O and a molecular weight of 284.64 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113423474
Molecular FormulaC10H9ClF4N2O
Molecular Weight284.64 g/mol
Exact Mass284.03
IUPAC Name2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1c(F)cccc1Cl)NCC(F)(F)F
InChIInChI=1S/C10H9ClF4N2O/c11-6-2-1-3-7(12)9(6)16-4-8(18)17-5-10(13,14)15/h1-3,16H,4-5H2,(H,17,18)
InChIKeyMMGOPCGALBBUQQ-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.64
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
2-(2,6-dichloroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 108997690
2-(2-chloro-6-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 104530695
2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103579817
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 2474847
2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone
CID 104530689
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,6-difluoroanilino)acetamide
CID 109007030
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43304736
2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60690990
N-carbamoyl-2-(2,6-dichloroanilino)acetamide
CID 65469010

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 113423474) is 2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNc1c(F)cccc1Cl)NCC(F)(F)F.
What is the InChIKey of 2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MMGOPCGALBBUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2O/c11-6-2-1-3-7(12)9(6)16-4-8(18)17-5-10(13,14)15/h1-3,16H,4-5H2,(H,17,18).
What are the key properties of 2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 284.64 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113423474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).