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

C20H14ClF3N2O3 — CID 59673015

IUPAC3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1cccnc1-c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C20H14ClF3N2O3/c1-28-17-3-2-10-25-18(17)15-9-4-12(11-16(15)21)19(27)26-13-5-7-14(8-6-13)29-20(22,23)24/h2-11H,1H3,(H,26,27)
InChIKeyLTWKHOWUNSLMNC-UHFFFAOYSA-N
MW422.79 g/mol
LogP5.56
Rot. Bonds5

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

3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 59673015) has the molecular formula C20H14ClF3N2O3 and a molecular weight of 422.79 g/mol. Its IUPAC name is 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID59673015
Molecular FormulaC20H14ClF3N2O3
Molecular Weight422.79 g/mol
Exact Mass422.06
IUPAC Name3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1cccnc1-c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C20H14ClF3N2O3/c1-28-17-3-2-10-25-18(17)15-9-4-12(11-16(15)21)19(27)26-13-5-7-14(8-6-13)29-20(22,23)24/h2-11H,1H3,(H,26,27)
InChIKeyLTWKHOWUNSLMNC-UHFFFAOYSA-N
XLogP5.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.79
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 59673015) is 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide is COc1cccnc1-c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is LTWKHOWUNSLMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O3/c1-28-17-3-2-10-25-18(17)15-9-4-12(11-16(15)21)19(27)26-13-5-7-14(8-6-13)29-20(22,23)24/h2-11H,1H3,(H,26,27).
What are the key properties of 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 422.79 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-methoxy-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 59673015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).