N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide

C14H17ClF3N3O2 — CID 119893774

IUPACN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)NCCOc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H17ClF3N3O2/c15-11-5-10(14(16,17)18)7-21-13(11)23-4-3-20-12(22)8-19-6-9-1-2-9/h5,7,9,19H,1-4,6,8H2,(H,20,22)
InChIKeyRNLNDIFFTFWYET-UHFFFAOYSA-N
MW351.76 g/mol
LogP2.25
Rot. Bonds8

About N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide

N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 119893774) has the molecular formula C14H17ClF3N3O2 and a molecular weight of 351.76 g/mol. Its IUPAC name is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide
PubChem CID119893774
Molecular FormulaC14H17ClF3N3O2
Molecular Weight351.76 g/mol
Exact Mass351.10
IUPAC NameN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)NCCOc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H17ClF3N3O2/c15-11-5-10(14(16,17)18)7-21-13(11)23-4-3-20-12(22)8-19-6-9-1-2-9/h5,7,9,19H,1-4,6,8H2,(H,20,22)
InChIKeyRNLNDIFFTFWYET-UHFFFAOYSA-N
XLogP2.25
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide (CID 119893774) is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)NCCOc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is RNLNDIFFTFWYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3O2/c15-11-5-10(14(16,17)18)7-21-13(11)23-4-3-20-12(22)8-19-6-9-1-2-9/h5,7,9,19H,1-4,6,8H2,(H,20,22).
What are the key properties of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide?
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 351.76 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 119893774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).