N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide

C12H12ClF3N2O — CID 2560580

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide
SMILESO=C(CNC1CC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H12ClF3N2O/c13-9-4-1-7(12(14,15)16)5-10(9)18-11(19)6-17-8-2-3-8/h1,4-5,8,17H,2-3,6H2,(H,18,19)
InChIKeyGGJSLITUBLNHBO-UHFFFAOYSA-N
MW292.69 g/mol
LogP3.05
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide (PubChem CID 2560580) has the molecular formula C12H12ClF3N2O and a molecular weight of 292.69 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide
PubChem CID2560580
Molecular FormulaC12H12ClF3N2O
Molecular Weight292.69 g/mol
Exact Mass292.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide
SMILESO=C(CNC1CC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H12ClF3N2O/c13-9-4-1-7(12(14,15)16)5-10(9)18-11(19)6-17-8-2-3-8/h1,4-5,8,17H,2-3,6H2,(H,18,19)
InChIKeyGGJSLITUBLNHBO-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide (CID 2560580) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide is O=C(CNC1CC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide?
The InChIKey is GGJSLITUBLNHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O/c13-9-4-1-7(12(14,15)16)5-10(9)18-11(19)6-17-8-2-3-8/h1,4-5,8,17H,2-3,6H2,(H,18,19).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide has a molecular weight of 292.69 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 2560580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).