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

C14H12ClF3N2O2 — CID 108996283

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide
SMILESO=C(CNCc1ccco1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H12ClF3N2O2/c15-11-4-3-9(14(16,17)18)6-12(11)20-13(21)8-19-7-10-2-1-5-22-10/h1-6,19H,7-8H2,(H,20,21)
InChIKeyYSOQKBFZXPVNNO-UHFFFAOYSA-N
MW332.71 g/mol
LogP3.68
Rot. Bonds5

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide (PubChem CID 108996283) has the molecular formula C14H12ClF3N2O2 and a molecular weight of 332.71 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide
PubChem CID108996283
Molecular FormulaC14H12ClF3N2O2
Molecular Weight332.71 g/mol
Exact Mass332.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide
SMILESO=C(CNCc1ccco1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H12ClF3N2O2/c15-11-4-3-9(14(16,17)18)6-12(11)20-13(21)8-19-7-10-2-1-5-22-10/h1-6,19H,7-8H2,(H,20,21)
InChIKeyYSOQKBFZXPVNNO-UHFFFAOYSA-N
XLogP3.68
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.71
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide (CID 108996283) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide is O=C(CNCc1ccco1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide?
The InChIKey is YSOQKBFZXPVNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2/c15-11-4-3-9(14(16,17)18)6-12(11)20-13(21)8-19-7-10-2-1-5-22-10/h1-6,19H,7-8H2,(H,20,21).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide has a molecular weight of 332.71 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide is sourced from PubChem (CID 108996283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).