3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide

C21H15Cl2F3N2O2 — CID 58103338

IUPAC3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C21H15Cl2F3N2O2/c22-15-7-8-18(16(23)12-15)30-19-6-2-5-17(28-19)13-3-1-4-14(11-13)20(29)27-10-9-21(24,25)26/h1-8,11-12H,9-10H2,(H,27,29)
InChIKeyYUBUOVJRPCJORH-UHFFFAOYSA-N
MW455.26 g/mol
LogP6.53
Rot. Bonds6

About 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide

3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 58103338) has the molecular formula C21H15Cl2F3N2O2 and a molecular weight of 455.26 g/mol. Its IUPAC name is 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID58103338
Molecular FormulaC21H15Cl2F3N2O2
Molecular Weight455.26 g/mol
Exact Mass454.05
IUPAC Name3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C21H15Cl2F3N2O2/c22-15-7-8-18(16(23)12-15)30-19-6-2-5-17(28-19)13-3-1-4-14(11-13)20(29)27-10-9-21(24,25)26/h1-8,11-12H,9-10H2,(H,27,29)
InChIKeyYUBUOVJRPCJORH-UHFFFAOYSA-N
XLogP6.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.26
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzamide
CID 58103248
methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate
CID 66857367
ethyl 3-[6-(2,4-dichlorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]benzoate
CID 66857681
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid
CID 66857600
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-2-fluorobenzoic acid
CID 66858904
[6-(2,4-dichlorophenoxy)-2-pyridinyl]methanol
CID 62240040
3-bromo-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]benzamide
CID 108539659
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(2-hydroxyethyl)benzamide
CID 24811987
6-(2,4-dichlorophenoxy)pyridin-2-amine
CID 80653433
4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide
CID 107029487
molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 160642288
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
CID 134800977

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide (CID 58103338) is 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide is O=C(NCCC(F)(F)F)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1.
What is the InChIKey of 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is YUBUOVJRPCJORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F3N2O2/c22-15-7-8-18(16(23)12-15)30-19-6-2-5-17(28-19)13-3-1-4-14(11-13)20(29)27-10-9-21(24,25)26/h1-8,11-12H,9-10H2,(H,27,29).
What are the key properties of 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide?
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 455.26 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 58103338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).