N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide

C10H9F5N2O — CID 114037917

IUPACN-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide
SMILESCN(C(=O)C(F)(F)C(F)(F)F)c1ccccc1N
InChIInChI=1S/C10H9F5N2O/c1-17(7-5-3-2-4-6(7)16)8(18)9(11,12)10(13,14)15/h2-5H,16H2,1H3
InChIKeyRHECBODAPWMZHP-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.43
Rot. Bonds2

About N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide

N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide (PubChem CID 114037917) has the molecular formula C10H9F5N2O and a molecular weight of 268.19 g/mol. Its IUPAC name is N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide
PubChem CID114037917
Molecular FormulaC10H9F5N2O
Molecular Weight268.19 g/mol
Exact Mass268.06
IUPAC NameN-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide
SMILESCN(C(=O)C(F)(F)C(F)(F)F)c1ccccc1N
InChIInChI=1S/C10H9F5N2O/c1-17(7-5-3-2-4-6(7)16)8(18)9(11,12)10(13,14)15/h2-5H,16H2,1H3
InChIKeyRHECBODAPWMZHP-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 101057684
2-N-(1-aminoethenyl)-2-N-methylbenzene-1,2-diamine
CID 89187300
2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide
CID 162535694
2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide
CID 15256877
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-methyl-N-(2-nitrophenyl)octanamide
CID 22152077
2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618
N-benzyl-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 91699922
N-(2-aminophenyl)-5,5,5-trifluoro-2,2,3,3-tetramethylpentanehydrazide;ethane
CID 142529747
4-acetamido-N-(2-aminophenyl)-N-methylbenzamide
CID 143459430
N-(2-aminophenyl)-N-methyl-4-methylsulfanylbenzamide
CID 79215761
(2-aminophenyl)-tert-butylcarbamic acid
CID 66632268
3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide
CID 65267367

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide?
The IUPAC name of N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide (CID 114037917) is N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide is CN(C(=O)C(F)(F)C(F)(F)F)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide?
The InChIKey is RHECBODAPWMZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O/c1-17(7-5-3-2-4-6(7)16)8(18)9(11,12)10(13,14)15/h2-5H,16H2,1H3.
What are the key properties of N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide?
N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide has a molecular weight of 268.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2,2,3,3,3-pentafluoro-N-methylpropanamide is sourced from PubChem (CID 114037917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).