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

C20H13Cl2F3N2O2 — CID 59672623

IUPAC3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide
SMILESCOc1cccnc1-c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C20H13Cl2F3N2O2/c1-29-17-3-2-8-26-18(17)13-6-4-11(9-16(13)22)19(28)27-12-5-7-15(21)14(10-12)20(23,24)25/h2-10H,1H3,(H,27,28)
InChIKeyIDEMDJGGTBWUGE-UHFFFAOYSA-N
MW441.24 g/mol
LogP6.34
Rot. Bonds4

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

3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide (PubChem CID 59672623) has the molecular formula C20H13Cl2F3N2O2 and a molecular weight of 441.24 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide
PubChem CID59672623
Molecular FormulaC20H13Cl2F3N2O2
Molecular Weight441.24 g/mol
Exact Mass440.03
IUPAC Name3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide
SMILESCOc1cccnc1-c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C20H13Cl2F3N2O2/c1-29-17-3-2-8-26-18(17)13-6-4-11(9-16(13)22)19(28)27-12-5-7-15(21)14(10-12)20(23,24)25/h2-10H,1H3,(H,27,28)
InChIKeyIDEMDJGGTBWUGE-UHFFFAOYSA-N
XLogP6.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.24
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide?
The IUPAC name of 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide (CID 59672623) is 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide?
The canonical SMILES for 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide is COc1cccnc1-c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide?
The InChIKey is IDEMDJGGTBWUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O2/c1-29-17-3-2-8-26-18(17)13-6-4-11(9-16(13)22)19(28)27-12-5-7-15(21)14(10-12)20(23,24)25/h2-10H,1H3,(H,27,28).
What are the key properties of 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide?
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide has a molecular weight of 441.24 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 59672623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).