ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate

C23H17ClF4N2O4 — CID 70985167

IUPACethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cn2)c(Cl)c1
InChIInChI=1S/C23H17ClF4N2O4/c1-2-33-21(31)10-13-3-7-19(17(24)9-13)34-20-8-5-15(12-29-20)30-22(32)14-4-6-16(18(25)11-14)23(26,27)28/h3-9,11-12H,2,10H2,1H3,(H,30,32)
InChIKeyXTSKYDRCBVYEBS-UHFFFAOYSA-N
MW496.84 g/mol
LogP6.04
Rot. Bonds7

About ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate

ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate (PubChem CID 70985167) has the molecular formula C23H17ClF4N2O4 and a molecular weight of 496.84 g/mol. Its IUPAC name is ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate
PubChem CID70985167
Molecular FormulaC23H17ClF4N2O4
Molecular Weight496.84 g/mol
Exact Mass496.08
IUPAC Nameethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cn2)c(Cl)c1
InChIInChI=1S/C23H17ClF4N2O4/c1-2-33-21(31)10-13-3-7-19(17(24)9-13)34-20-8-5-15(12-29-20)30-22(32)14-4-6-16(18(25)11-14)23(26,27)28/h3-9,11-12H,2,10H2,1H3,(H,30,32)
InChIKeyXTSKYDRCBVYEBS-UHFFFAOYSA-N
XLogP6.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.84
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate with MolForge

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Related Compounds

N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-4-methylbenzamide
CID 40541033
ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate
CID 70984916
ethyl 2-[3-chloro-4-[(5-nitro-2-pyridinyl)oxy]phenyl]acetate
CID 70984993
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-3-methylbenzamide;hydrochloride
CID 44641711
N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide
CID 166220547
ethyl 5-[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]pentanoate
CID 68525138
2-[3-chloro-4-[[5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]oxy]phenyl]acetic acid
CID 70985190
ethyl 2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate
CID 134632922
5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645470
N-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]naphthalene-2-carboxamide
CID 18419514
2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid
CID 141132288
N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide
CID 10113425

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate?
The IUPAC name of ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate (CID 70985167) is ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate is CCOC(=O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)c(F)c3)cn2)c(Cl)c1.
What is the InChIKey of ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate?
The InChIKey is XTSKYDRCBVYEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF4N2O4/c1-2-33-21(31)10-13-3-7-19(17(24)9-13)34-20-8-5-15(12-29-20)30-22(32)14-4-6-16(18(25)11-14)23(26,27)28/h3-9,11-12H,2,10H2,1H3,(H,30,32).
What are the key properties of ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate?
ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate has a molecular weight of 496.84 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate is sourced from PubChem (CID 70985167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).