N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide

C9H7Cl2F3N2O — CID 16778408

IUPACN-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide
SMILESNc1cc(Cl)c(NC(=O)CC(F)(F)F)c(Cl)c1
InChIInChI=1S/C9H7Cl2F3N2O/c10-5-1-4(15)2-6(11)8(5)16-7(17)3-9(12,13)14/h1-2H,3,15H2,(H,16,17)
InChIKeyMDPJXOMWPCXHCN-UHFFFAOYSA-N
MW287.07 g/mol
LogP3.47
Rot. Bonds2

About N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide

N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide (PubChem CID 16778408) has the molecular formula C9H7Cl2F3N2O and a molecular weight of 287.07 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide
PubChem CID16778408
Molecular FormulaC9H7Cl2F3N2O
Molecular Weight287.07 g/mol
Exact Mass285.99
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide
SMILESNc1cc(Cl)c(NC(=O)CC(F)(F)F)c(Cl)c1
InChIInChI=1S/C9H7Cl2F3N2O/c10-5-1-4(15)2-6(11)8(5)16-7(17)3-9(12,13)14/h1-2H,3,15H2,(H,16,17)
InChIKeyMDPJXOMWPCXHCN-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.07
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide
CID 43246826
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668030
3,5-dichloro-4-(4,4,4-trifluorobutanoylamino)benzoic acid
CID 82830697
3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
CID 106095679
N-(4-amino-2,6-dichlorophenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107198287
N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 55203691
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide
CID 61286801
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide
CID 61304432
N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334919
N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide
CID 64786329

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide (CID 16778408) is N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide is Nc1cc(Cl)c(NC(=O)CC(F)(F)F)c(Cl)c1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide?
The InChIKey is MDPJXOMWPCXHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F3N2O/c10-5-1-4(15)2-6(11)8(5)16-7(17)3-9(12,13)14/h1-2H,3,15H2,(H,16,17).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide?
N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide has a molecular weight of 287.07 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 16778408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).