4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide

C19H13ClF3N3O2 — CID 59673374

IUPAC4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(F)(F)F)cn2)ccc1-c1ncccc1Cl
InChIInChI=1S/C19H13ClF3N3O2/c1-28-15-9-11(4-6-13(15)17-14(20)3-2-8-24-17)18(27)26-16-7-5-12(10-25-16)19(21,22)23/h2-10H,1H3,(H,25,26,27)
InChIKeySOFAWDMMGQLBSV-UHFFFAOYSA-N
MW407.78 g/mol
LogP5.08
Rot. Bonds4

About 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide

4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59673374) has the molecular formula C19H13ClF3N3O2 and a molecular weight of 407.78 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59673374
Molecular FormulaC19H13ClF3N3O2
Molecular Weight407.78 g/mol
Exact Mass407.06
IUPAC Name4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(F)(F)F)cn2)ccc1-c1ncccc1Cl
InChIInChI=1S/C19H13ClF3N3O2/c1-28-15-9-11(4-6-13(15)17-14(20)3-2-8-24-17)18(27)26-16-7-5-12(10-25-16)19(21,22)23/h2-10H,1H3,(H,25,26,27)
InChIKeySOFAWDMMGQLBSV-UHFFFAOYSA-N
XLogP5.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.78
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59673374) is 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide is COc1cc(C(=O)Nc2ccc(C(F)(F)F)cn2)ccc1-c1ncccc1Cl.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is SOFAWDMMGQLBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2/c1-28-15-9-11(4-6-13(15)17-14(20)3-2-8-24-17)18(27)26-16-7-5-12(10-25-16)19(21,22)23/h2-10H,1H3,(H,25,26,27).
What are the key properties of 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 407.78 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-3-methoxy-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59673374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).