N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide

C12H11Cl2F3N2O — CID 106212241

IUPACN-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide
SMILESO=C(CNC1(C(F)(F)F)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2F3N2O/c13-7-2-1-3-8(14)10(7)19-9(20)6-18-11(4-5-11)12(15,16)17/h1-3,18H,4-6H2,(H,19,20)
InChIKeyQHISSXIHAPFRIY-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.62
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide (PubChem CID 106212241) has the molecular formula C12H11Cl2F3N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide
PubChem CID106212241
Molecular FormulaC12H11Cl2F3N2O
Molecular Weight327.13 g/mol
Exact Mass326.02
IUPAC NameN-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide
SMILESO=C(CNC1(C(F)(F)F)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2F3N2O/c13-7-2-1-3-8(14)10(7)19-9(20)6-18-11(4-5-11)12(15,16)17/h1-3,18H,4-6H2,(H,19,20)
InChIKeyQHISSXIHAPFRIY-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide
CID 7536783
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
CID 104760842
2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60841931
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915268
N-(2,6-dichlorophenyl)-2-sulfanylacetamide
CID 14567957
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate
CID 113001448
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988
2-(2-cyclopentylethylamino)-N-(2,6-dichlorophenyl)acetamide
CID 60919366
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide (CID 106212241) is N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide is O=C(CNC1(C(F)(F)F)CC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide?
The InChIKey is QHISSXIHAPFRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2F3N2O/c13-7-2-1-3-8(14)10(7)19-9(20)6-18-11(4-5-11)12(15,16)17/h1-3,18H,4-6H2,(H,19,20).
What are the key properties of N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide has a molecular weight of 327.13 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide is sourced from PubChem (CID 106212241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).