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

C19H12Cl2F3N3O2 — CID 59673498

IUPAC4-(3-chloro-2-pyridinyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)ccc1-c1ncccc1Cl
InChIInChI=1S/C19H12Cl2F3N3O2/c1-29-15-7-10(4-5-12(15)16-13(20)3-2-6-25-16)18(28)27-17-14(21)8-11(9-26-17)19(22,23)24/h2-9H,1H3,(H,26,27,28)
InChIKeyPRFBOUDWHNZNCI-UHFFFAOYSA-N
MW442.22 g/mol
LogP5.73
Rot. Bonds4

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

4-(3-chloro-2-pyridinyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide (PubChem CID 59673498) has the molecular formula C19H12Cl2F3N3O2 and a molecular weight of 442.22 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide
PubChem CID59673498
Molecular FormulaC19H12Cl2F3N3O2
Molecular Weight442.22 g/mol
Exact Mass441.03
IUPAC Name4-(3-chloro-2-pyridinyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)ccc1-c1ncccc1Cl
InChIInChI=1S/C19H12Cl2F3N3O2/c1-29-15-7-10(4-5-12(15)16-13(20)3-2-6-25-16)18(28)27-17-14(21)8-11(9-26-17)19(22,23)24/h2-9H,1H3,(H,26,27,28)
InChIKeyPRFBOUDWHNZNCI-UHFFFAOYSA-N
XLogP5.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.22
LogP ≤ 55.73
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)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide (CID 59673498) is 4-(3-chloro-2-pyridinyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide is COc1cc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)ccc1-c1ncccc1Cl.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide?
The InChIKey is PRFBOUDWHNZNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3N3O2/c1-29-15-7-10(4-5-12(15)16-13(20)3-2-6-25-16)18(28)27-17-14(21)8-11(9-26-17)19(22,23)24/h2-9H,1H3,(H,26,27,28).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide?
4-(3-chloro-2-pyridinyl)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide has a molecular weight of 442.22 g/mol, XLogP of 5.73, 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)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 59673498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).