2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide

C15H13ClF3N3O3 — CID 89277357

IUPAC2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide
SMILESCc1cc(Cl)cnc1Nc1c(C(=O)NOCCO)cc(F)c(F)c1F
InChIInChI=1S/C15H13ClF3N3O3/c1-7-4-8(16)6-20-14(7)21-13-9(15(24)22-25-3-2-23)5-10(17)11(18)12(13)19/h4-6,23H,2-3H2,1H3,(H,20,21)(H,22,24)
InChIKeyQJAHUHMTOYSBRW-UHFFFAOYSA-N
MW375.73 g/mol
LogP2.86
Rot. Bonds6

About 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide

2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide (PubChem CID 89277357) has the molecular formula C15H13ClF3N3O3 and a molecular weight of 375.73 g/mol. Its IUPAC name is 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound Name2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide
PubChem CID89277357
Molecular FormulaC15H13ClF3N3O3
Molecular Weight375.73 g/mol
Exact Mass375.06
IUPAC Name2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide
SMILESCc1cc(Cl)cnc1Nc1c(C(=O)NOCCO)cc(F)c(F)c1F
InChIInChI=1S/C15H13ClF3N3O3/c1-7-4-8(16)6-20-14(7)21-13-9(15(24)22-25-3-2-23)5-10(17)11(18)12(13)19/h4-6,23H,2-3H2,1H3,(H,20,21)(H,22,24)
InChIKeyQJAHUHMTOYSBRW-UHFFFAOYSA-N
XLogP2.86
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.73
LogP ≤ 52.86
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

2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 24851892
CID 89277371
CID 89277371
5-bromo-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide
CID 162553221
CID 89277132
CID 89277132
5-chloro-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
CID 89277195
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4,5-trifluorobenzoyl]amino]oxyacetic acid
CID 89277182
6-(4-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3H-benzimidazole-5-carboxamide
CID 91194605
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2,3-dihydroxypropoxy]-3,4,5-trifluorobenzamide
CID 89278452
2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide
CID 24852478
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-5-chloro-3,4-difluoro-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 143653189
N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide
CID 24852482
3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58886667

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide?
The IUPAC name of 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide (CID 89277357) is 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide?
The canonical SMILES for 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide is Cc1cc(Cl)cnc1Nc1c(C(=O)NOCCO)cc(F)c(F)c1F.
What is the InChIKey of 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide?
The InChIKey is QJAHUHMTOYSBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3/c1-7-4-8(16)6-20-14(7)21-13-9(15(24)22-25-3-2-23)5-10(17)11(18)12(13)19/h4-6,23H,2-3H2,1H3,(H,20,21)(H,22,24).
What are the key properties of 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide?
2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide has a molecular weight of 375.73 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 89277357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).