2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide

C20H11Cl3F3N3O3 — CID 56980860

IUPAC2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2cc(Cl)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C20H11Cl3F3N3O3/c21-11-6-10(20(24,25)26)7-13(8-11)32-12-4-5-16(27-9-12)28-19(31)29-18(30)17-14(22)2-1-3-15(17)23/h1-9H,(H2,27,28,29,30,31)
InChIKeySZYXMKCNFRVUQY-UHFFFAOYSA-N
MW504.68 g/mol
LogP6.81
Rot. Bonds4

About 2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide

2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide (PubChem CID 56980860) has the molecular formula C20H11Cl3F3N3O3 and a molecular weight of 504.68 g/mol. Its IUPAC name is 2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide
PubChem CID56980860
Molecular FormulaC20H11Cl3F3N3O3
Molecular Weight504.68 g/mol
Exact Mass502.98
IUPAC Name2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2cc(Cl)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C20H11Cl3F3N3O3/c21-11-6-10(20(24,25)26)7-13(8-11)32-12-4-5-16(27-9-12)28-19(31)29-18(30)17-14(22)2-1-3-15(17)23/h1-9H,(H2,27,28,29,30,31)
InChIKeySZYXMKCNFRVUQY-UHFFFAOYSA-N
XLogP6.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.68
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 13242668
2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 23463895
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912760
2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 57322394
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043
[3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate
CID 2798658
2-chloro-6-methoxy-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912838
2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide
CID 21313073
2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide
CID 12912898
2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide
CID 12960044
N-[[6-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dichlorobenzamide
CID 12912782

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide (CID 56980860) is 2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Oc2cc(Cl)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide?
The InChIKey is SZYXMKCNFRVUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3F3N3O3/c21-11-6-10(20(24,25)26)7-13(8-11)32-12-4-5-16(27-9-12)28-19(31)29-18(30)17-14(22)2-1-3-15(17)23/h1-9H,(H2,27,28,29,30,31).
What are the key properties of 2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide?
2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide has a molecular weight of 504.68 g/mol, XLogP of 6.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide is sourced from PubChem (CID 56980860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).