2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide

C14H8Cl3F3N2O2 — CID 139595967

IUPAC2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide
SMILESO=C(NC(O)c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl3F3N2O2/c15-7-2-1-3-8(16)10(7)12(23)22-13(24)11-9(17)4-6(5-21-11)14(18,19)20/h1-5,13,24H,(H,22,23)
InChIKeyLSWCFWBWGGZCKY-UHFFFAOYSA-N
MW399.58 g/mol
LogP4.48
Rot. Bonds3

About 2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide

2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide (PubChem CID 139595967) has the molecular formula C14H8Cl3F3N2O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide
PubChem CID139595967
Molecular FormulaC14H8Cl3F3N2O2
Molecular Weight399.58 g/mol
Exact Mass397.96
IUPAC Name2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide
SMILESO=C(NC(O)c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl3F3N2O2/c15-7-2-1-3-8(16)10(7)12(23)22-13(24)11-9(17)4-6(5-21-11)14(18,19)20/h1-5,13,24H,(H,22,23)
InChIKeyLSWCFWBWGGZCKY-UHFFFAOYSA-N
XLogP4.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide (CID 139595967) is 2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide is O=C(NC(O)c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide?
The InChIKey is LSWCFWBWGGZCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3N2O2/c15-7-2-1-3-8(16)10(7)12(23)22-13(24)11-9(17)4-6(5-21-11)14(18,19)20/h1-5,13,24H,(H,22,23).
What are the key properties of 2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide?
2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide has a molecular weight of 399.58 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]benzamide is sourced from PubChem (CID 139595967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).