3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C20H14ClF3N2O2 — CID 59673720

IUPAC3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cccnc1-c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C20H14ClF3N2O2/c1-28-17-6-3-9-25-18(17)15-8-7-12(10-16(15)21)19(27)26-14-5-2-4-13(11-14)20(22,23)24/h2-11H,1H3,(H,26,27)
InChIKeyAPNIFKBZPNUQMD-UHFFFAOYSA-N
MW406.79 g/mol
LogP5.68
Rot. Bonds4

About 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide

3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 59673720) has the molecular formula C20H14ClF3N2O2 and a molecular weight of 406.79 g/mol. Its IUPAC name is 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID59673720
Molecular FormulaC20H14ClF3N2O2
Molecular Weight406.79 g/mol
Exact Mass406.07
IUPAC Name3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cccnc1-c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C20H14ClF3N2O2/c1-28-17-6-3-9-25-18(17)15-8-7-12(10-16(15)21)19(27)26-14-5-2-4-13(11-14)20(22,23)24/h2-11H,1H3,(H,26,27)
InChIKeyAPNIFKBZPNUQMD-UHFFFAOYSA-N
XLogP5.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.79
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 59673720) is 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide is COc1cccnc1-c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is APNIFKBZPNUQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O2/c1-28-17-6-3-9-25-18(17)15-8-7-12(10-16(15)21)19(27)26-14-5-2-4-13(11-14)20(22,23)24/h2-11H,1H3,(H,26,27).
What are the key properties of 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 406.79 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 59673720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).