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

C23H20ClF3N2O2 — CID 70663326

IUPACN-[4-(2-chlorophenyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(C(C)(C)O)cc(C(F)(F)F)c1)c1cnccc1-c1ccccc1Cl
InChIInChI=1S/C23H20ClF3N2O2/c1-22(2,31)15-10-14(11-16(12-15)23(25,26)27)21(30)29(3)20-13-28-9-8-18(20)17-6-4-5-7-19(17)24/h4-13,31H,1-3H3
InChIKeyVUHPRDJMAMEREQ-UHFFFAOYSA-N
MW448.87 g/mol
LogP5.92
Rot. Bonds4

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

N-[4-(2-chlorophenyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide (PubChem CID 70663326) has the molecular formula C23H20ClF3N2O2 and a molecular weight of 448.87 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide
PubChem CID70663326
Molecular FormulaC23H20ClF3N2O2
Molecular Weight448.87 g/mol
Exact Mass448.12
IUPAC NameN-[4-(2-chlorophenyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(C(C)(C)O)cc(C(F)(F)F)c1)c1cnccc1-c1ccccc1Cl
InChIInChI=1S/C23H20ClF3N2O2/c1-22(2,31)15-10-14(11-16(12-15)23(25,26)27)21(30)29(3)20-13-28-9-8-18(20)17-6-4-5-7-19(17)24/h4-13,31H,1-3H3
InChIKeyVUHPRDJMAMEREQ-UHFFFAOYSA-N
XLogP5.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.87
LogP ≤ 55.92
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-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-chlorophenyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide (CID 70663326) is N-[4-(2-chlorophenyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide is CN(C(=O)c1cc(C(C)(C)O)cc(C(F)(F)F)c1)c1cnccc1-c1ccccc1Cl.
What is the InChIKey of N-[4-(2-chlorophenyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is VUHPRDJMAMEREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O2/c1-22(2,31)15-10-14(11-16(12-15)23(25,26)27)21(30)29(3)20-13-28-9-8-18(20)17-6-4-5-7-19(17)24/h4-13,31H,1-3H3.
What are the key properties of N-[4-(2-chlorophenyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide?
N-[4-(2-chlorophenyl)-3-pyridinyl]-3-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 448.87 g/mol, XLogP of 5.92, 4 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-(2-hydroxypropan-2-yl)-N-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70663326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).