N-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide

C20H14ClF3N2O2 — CID 70663537

IUPACN-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(O)cc(C(F)(F)F)c1)c1cnccc1-c1ccccc1Cl
InChIInChI=1S/C20H14ClF3N2O2/c1-26(19(28)12-8-13(20(22,23)24)10-14(27)9-12)18-11-25-7-6-16(18)15-4-2-3-5-17(15)21/h2-11,27H,1H3
InChIKeyPPAZWBCWVSHSLC-UHFFFAOYSA-N
MW406.79 g/mol
LogP5.40
Rot. Bonds3

About N-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide

N-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide (PubChem CID 70663537) has the molecular formula C20H14ClF3N2O2 and a molecular weight of 406.79 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide
PubChem CID70663537
Molecular FormulaC20H14ClF3N2O2
Molecular Weight406.79 g/mol
Exact Mass406.07
IUPAC NameN-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(O)cc(C(F)(F)F)c1)c1cnccc1-c1ccccc1Cl
InChIInChI=1S/C20H14ClF3N2O2/c1-26(19(28)12-8-13(20(22,23)24)10-14(27)9-12)18-11-25-7-6-16(18)15-4-2-3-5-17(15)21/h2-11,27H,1H3
InChIKeyPPAZWBCWVSHSLC-UHFFFAOYSA-N
XLogP5.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.79
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide (CID 70663537) is N-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide is CN(C(=O)c1cc(O)cc(C(F)(F)F)c1)c1cnccc1-c1ccccc1Cl.
What is the InChIKey of N-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is PPAZWBCWVSHSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O2/c1-26(19(28)12-8-13(20(22,23)24)10-14(27)9-12)18-11-25-7-6-16(18)15-4-2-3-5-17(15)21/h2-11,27H,1H3.
What are the key properties of N-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide?
N-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 406.79 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-3-pyridinyl]-3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70663537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).