N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide

C11H10F6N2O — CID 103309029

IUPACN-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
SMILESCN(C(=O)C(C(F)(F)F)C(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C11H10F6N2O/c1-19(7-4-2-6(18)3-5-7)9(20)8(10(12,13)14)11(15,16)17/h2-5,8H,18H2,1H3
InChIKeyONVKNZLQYZDSFB-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.97
Rot. Bonds2

About N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide

N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide (PubChem CID 103309029) has the molecular formula C11H10F6N2O and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
PubChem CID103309029
Molecular FormulaC11H10F6N2O
Molecular Weight300.20 g/mol
Exact Mass300.07
IUPAC NameN-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
SMILESCN(C(=O)C(C(F)(F)F)C(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C11H10F6N2O/c1-19(7-4-2-6(18)3-5-7)9(20)8(10(12,13)14)11(15,16)17/h2-5,8H,18H2,1H3
InChIKeyONVKNZLQYZDSFB-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N,2-dimethylbutanamide
CID 43114423
N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
CID 43114424
1-(4-aminophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311154
N-(4-aminophenyl)-N-[4-(4-amino-N-(2,2,2-trifluoroacetyl)anilino)phenyl]-2,2,2-trifluoroacetamide
CID 102518969
N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide
CID 146585049
4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908272
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
CID 23506938
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736
N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide
CID 61289454
2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide
CID 80555053

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide (CID 103309029) is N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide is CN(C(=O)C(C(F)(F)F)C(F)(F)F)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
The InChIKey is ONVKNZLQYZDSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O/c1-19(7-4-2-6(18)3-5-7)9(20)8(10(12,13)14)11(15,16)17/h2-5,8H,18H2,1H3.
What are the key properties of N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide has a molecular weight of 300.20 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).