[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate

C17H14Cl2F2N2O4 — CID 33352206

IUPAC[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)Cc2ccc(OC(F)F)cc2)c1Cl
InChIInChI=1S/C17H14Cl2F2N2O4/c1-9-12(18)7-22-16(15(9)19)23-13(24)8-26-14(25)6-10-2-4-11(5-3-10)27-17(20)21/h2-5,7,17H,6,8H2,1H3,(H,22,23,24)
InChIKeyYMAVZUYEIRPAOQ-UHFFFAOYSA-N
MW419.21 g/mol
LogP4.02
Rot. Bonds7

About [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate (PubChem CID 33352206) has the molecular formula C17H14Cl2F2N2O4 and a molecular weight of 419.21 g/mol. Its IUPAC name is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
PubChem CID33352206
Molecular FormulaC17H14Cl2F2N2O4
Molecular Weight419.21 g/mol
Exact Mass418.03
IUPAC Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)Cc2ccc(OC(F)F)cc2)c1Cl
InChIInChI=1S/C17H14Cl2F2N2O4/c1-9-12(18)7-22-16(15(9)19)23-13(24)8-26-14(25)6-10-2-4-11(5-3-10)27-17(20)21/h2-5,7,17H,6,8H2,1H3,(H,22,23,24)
InChIKeyYMAVZUYEIRPAOQ-UHFFFAOYSA-N
XLogP4.02
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.21
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate with MolForge

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Related Compounds

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 4853895
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2387543
[2-(4-bromoanilino)-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 33349708
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-chlorobenzoate
CID 2624170
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2475003
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 2093970
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703768
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 2414517
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 32954032
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854481
N-(5-chloro-2-pyridinyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 34136582
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847365

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate?
The IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate (CID 33352206) is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate.
What is the SMILES notation for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate?
The canonical SMILES for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate is Cc1c(Cl)cnc(NC(=O)COC(=O)Cc2ccc(OC(F)F)cc2)c1Cl.
What is the InChIKey of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate?
The InChIKey is YMAVZUYEIRPAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2N2O4/c1-9-12(18)7-22-16(15(9)19)23-13(24)8-26-14(25)6-10-2-4-11(5-3-10)27-17(20)21/h2-5,7,17H,6,8H2,1H3,(H,22,23,24).
What are the key properties of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate?
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate has a molecular weight of 419.21 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate is sourced from PubChem (CID 33352206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).