N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane

C22H20ClF3N2O2 — CID 143892153

IUPACN-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane
SMILESCC.O=C(Nc1ccc(C(F)(F)F)nc1Cl)c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H14ClF3N2O2.C2H6/c21-18-15(10-11-17(26-18)20(22,23)24)25-19(27)14-8-4-5-9-16(14)28-12-13-6-2-1-3-7-13;1-2/h1-11H,12H2,(H,25,27);1-2H3
InChIKeyQLNSPQMIQCBWRZ-UHFFFAOYSA-N
MW436.86 g/mol
LogP6.61
Rot. Bonds5

About N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane

N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane (PubChem CID 143892153) has the molecular formula C22H20ClF3N2O2 and a molecular weight of 436.86 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane
PubChem CID143892153
Molecular FormulaC22H20ClF3N2O2
Molecular Weight436.86 g/mol
Exact Mass436.12
IUPAC NameN-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane
SMILESCC.O=C(Nc1ccc(C(F)(F)F)nc1Cl)c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H14ClF3N2O2.C2H6/c21-18-15(10-11-17(26-18)20(22,23)24)25-19(27)14-8-4-5-9-16(14)28-12-13-6-2-1-3-7-13;1-2/h1-11H,12H2,(H,25,27);1-2H3
InChIKeyQLNSPQMIQCBWRZ-UHFFFAOYSA-N
XLogP6.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.86
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-phenylmethoxybenzamide
CID 4946400
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
2-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]-N-methylbenzamide
CID 16566015
N-(2-chlorophenyl)-2-[(4-chlorophenyl)methoxy]benzamide
CID 7947681
N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide
CID 4946343
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098011
N-(2-fluorophenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26115053
N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide
CID 134843710
2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 59783787
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113
N-(2-phenylmethoxyphenyl)-4-(trifluoromethyl)benzamide
CID 141040203
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane (CID 143892153) is N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane is CC.O=C(Nc1ccc(C(F)(F)F)nc1Cl)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane?
The InChIKey is QLNSPQMIQCBWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O2.C2H6/c21-18-15(10-11-17(26-18)20(22,23)24)25-19(27)14-8-4-5-9-16(14)28-12-13-6-2-1-3-7-13;1-2/h1-11H,12H2,(H,25,27);1-2H3.
What are the key properties of N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane?
N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane has a molecular weight of 436.86 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane is sourced from PubChem (CID 143892153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).