2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide

C10H9ClF4N2O — CID 107365572

IUPAC2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1cc(F)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H9ClF4N2O/c1-9(16,10(13,14)15)8(18)17-7-3-5(11)2-6(12)4-7/h2-4H,16H2,1H3,(H,17,18)
InChIKeyHPLABGSBAACXFY-UHFFFAOYSA-N
MW284.64 g/mol
LogP2.70
Rot. Bonds2

About 2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 107365572) has the molecular formula C10H9ClF4N2O and a molecular weight of 284.64 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID107365572
Molecular FormulaC10H9ClF4N2O
Molecular Weight284.64 g/mol
Exact Mass284.03
IUPAC Name2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1cc(F)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H9ClF4N2O/c1-9(16,10(13,14)15)8(18)17-7-3-5(11)2-6(12)4-7/h2-4H,16H2,1H3,(H,17,18)
InChIKeyHPLABGSBAACXFY-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.64
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-Chlorophenyl)acetamide
CID 11493
N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
CID 532127
N-(3-chlorophenyl)pivalamide
CID 532035
N-(3-Chloro-4-fluorophenyl)acetamide
CID 589188
N-(3,5-Dichlorophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4198996
N-(3-chloro-4-fluorophenyl)propanamide
CID 699697
5'-Chloro-2'-fluoroacetanilide
CID 9813
N-(4-Chlorophenyl)-2,2,2-trifluoroacetamide
CID 9830
N-(2-amino-5-chlorophenyl)acetamide
CID 13032406
4'-Chloro-2'-fluoroacetanilide
CID 853174
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
N-(3-chloro-4-fluorophenyl)-2-methylpentanamide
CID 2905161

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide (CID 107365572) is 2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1cc(F)cc(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is HPLABGSBAACXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2O/c1-9(16,10(13,14)15)8(18)17-7-3-5(11)2-6(12)4-7/h2-4H,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 284.64 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 107365572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).