N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide

C16H16ClF3N2O2 — CID 9102751

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C16H16ClF3N2O2/c1-10-3-5-12(24-10)8-22(2)9-15(23)21-14-7-11(16(18,19)20)4-6-13(14)17/h3-7H,8-9H2,1-2H3,(H,21,23)
InChIKeyHJSXKJWZSFLRNE-UHFFFAOYSA-N
MW360.76 g/mol
LogP4.33
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide (PubChem CID 9102751) has the molecular formula C16H16ClF3N2O2 and a molecular weight of 360.76 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
PubChem CID9102751
Molecular FormulaC16H16ClF3N2O2
Molecular Weight360.76 g/mol
Exact Mass360.09
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C16H16ClF3N2O2/c1-10-3-5-12(24-10)8-22(2)9-15(23)21-14-7-11(16(18,19)20)4-6-13(14)17/h3-7H,8-9H2,1-2H3,(H,21,23)
InChIKeyHJSXKJWZSFLRNE-UHFFFAOYSA-N
XLogP4.33
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide (CID 9102751) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide is Cc1ccc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The InChIKey is HJSXKJWZSFLRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2O2/c1-10-3-5-12(24-10)8-22(2)9-15(23)21-14-7-11(16(18,19)20)4-6-13(14)17/h3-7H,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide has a molecular weight of 360.76 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 9102751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).