5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide

C15H10BrClF5N3O3 — CID 162553221

IUPAC5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide
SMILESO=C(NOCCO)c1cc(Br)c(F)c(F)c1Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10BrClF5N3O3/c16-8-4-7(14(27)25-28-2-1-26)12(11(19)10(8)18)24-13-9(17)3-6(5-23-13)15(20,21)22/h3-5,26H,1-2H2,(H,23,24)(H,25,27)
InChIKeyZGANULNRSVXLJQ-UHFFFAOYSA-N
MW490.61 g/mol
LogP4.19
Rot. Bonds6

About 5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide

5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide (PubChem CID 162553221) has the molecular formula C15H10BrClF5N3O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide
PubChem CID162553221
Molecular FormulaC15H10BrClF5N3O3
Molecular Weight490.61 g/mol
Exact Mass488.95
IUPAC Name5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide
SMILESO=C(NOCCO)c1cc(Br)c(F)c(F)c1Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10BrClF5N3O3/c16-8-4-7(14(27)25-28-2-1-26)12(11(19)10(8)18)24-13-9(17)3-6(5-23-13)15(20,21)22/h3-5,26H,1-2H2,(H,23,24)(H,25,27)
InChIKeyZGANULNRSVXLJQ-UHFFFAOYSA-N
XLogP4.19
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide
CID 89278626
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4,5-trifluorobenzoyl]amino]oxyacetic acid
CID 89277182
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2,3-dihydroxypropoxy]-3,4,5-trifluorobenzamide
CID 89278452
5-chloro-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
CID 89277195
2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide
CID 89277357
5-bromo-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(3-hydroxypropoxy)benzamide
CID 10120406
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid
CID 115572196
CID 89277166
CID 89277166
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
CID 83204495
CID 89277132
CID 89277132
5-bromo-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)oxybenzamide
CID 10166959
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-5-chloro-3,4-difluoro-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 143653189

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide?
The IUPAC name of 5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide (CID 162553221) is 5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for 5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide?
The canonical SMILES for 5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide is O=C(NOCCO)c1cc(Br)c(F)c(F)c1Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide?
The InChIKey is ZGANULNRSVXLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF5N3O3/c16-8-4-7(14(27)25-28-2-1-26)12(11(19)10(8)18)24-13-9(17)3-6(5-23-13)15(20,21)22/h3-5,26H,1-2H2,(H,23,24)(H,25,27).
What are the key properties of 5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide?
5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide has a molecular weight of 490.61 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 162553221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).