5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide

C15H10Cl2F5N3O2 — CID 89278626

IUPAC5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide
SMILESCCONC(=O)c1cc(Cl)c(F)c(F)c1Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10Cl2F5N3O2/c1-2-27-25-14(26)7-4-8(16)10(18)11(19)12(7)24-13-9(17)3-6(5-23-13)15(20,21)22/h3-5H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyQCOKGAATXHAAIZ-UHFFFAOYSA-N
MW430.16 g/mol
LogP5.11
Rot. Bonds5

About 5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide

5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide (PubChem CID 89278626) has the molecular formula C15H10Cl2F5N3O2 and a molecular weight of 430.16 g/mol. Its IUPAC name is 5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide.

Molecular Properties

Compound Name5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide
PubChem CID89278626
Molecular FormulaC15H10Cl2F5N3O2
Molecular Weight430.16 g/mol
Exact Mass429.01
IUPAC Name5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide
SMILESCCONC(=O)c1cc(Cl)c(F)c(F)c1Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10Cl2F5N3O2/c1-2-27-25-14(26)7-4-8(16)10(18)11(19)12(7)24-13-9(17)3-6(5-23-13)15(20,21)22/h3-5H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyQCOKGAATXHAAIZ-UHFFFAOYSA-N
XLogP5.11
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.16
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4,5-trifluorobenzoyl]amino]oxyacetic acid
CID 89277182
5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide
CID 162553221
5-chloro-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
CID 89277195
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2,3-dihydroxypropoxy]-3,4,5-trifluorobenzamide
CID 89278452
CID 89277132
CID 89277132
2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide
CID 152542515
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-5-chloro-3,4-difluoro-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 143653189
CID 89277184
CID 89277184
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid
CID 115572196
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pentanoate
CID 2405035

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide?
The IUPAC name of 5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide (CID 89278626) is 5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide.
What is the SMILES notation for 5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide?
The canonical SMILES for 5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide is CCONC(=O)c1cc(Cl)c(F)c(F)c1Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide?
The InChIKey is QCOKGAATXHAAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F5N3O2/c1-2-27-25-14(26)7-4-8(16)10(18)11(19)12(7)24-13-9(17)3-6(5-23-13)15(20,21)22/h3-5H,2H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide?
5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide has a molecular weight of 430.16 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide is sourced from PubChem (CID 89278626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).