ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate

C24H21Cl2NO5 — CID 70984916

IUPACethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(OC)c3)cc2)c(Cl)c1
InChIInChI=1S/C24H21Cl2NO5/c1-3-31-23(28)13-15-4-11-21(20(26)12-15)32-18-8-6-17(7-9-18)27-24(29)16-5-10-19(25)22(14-16)30-2/h4-12,14H,3,13H2,1-2H3,(H,27,29)
InChIKeyGQJOCHACMUZCGL-UHFFFAOYSA-N
MW474.34 g/mol
LogP6.15
Rot. Bonds8

About ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate

ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate (PubChem CID 70984916) has the molecular formula C24H21Cl2NO5 and a molecular weight of 474.34 g/mol. Its IUPAC name is ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate
PubChem CID70984916
Molecular FormulaC24H21Cl2NO5
Molecular Weight474.34 g/mol
Exact Mass473.08
IUPAC Nameethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(OC)c3)cc2)c(Cl)c1
InChIInChI=1S/C24H21Cl2NO5/c1-3-31-23(28)13-15-4-11-21(20(26)12-15)32-18-8-6-17(7-9-18)27-24(29)16-5-10-19(25)22(14-16)30-2/h4-12,14H,3,13H2,1-2H3,(H,27,29)
InChIKeyGQJOCHACMUZCGL-UHFFFAOYSA-N
XLogP6.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.34
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate with MolForge

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Related Compounds

ethyl 2-[3-chloro-4-[4-[(6-methoxy-1H-benzimidazole-2-carbonyl)amino]phenoxy]phenyl]acetate
CID 70984920
ethyl 2-[4-[4-[(5-bromo-1-benzofuran-2-carbonyl)amino]phenoxy]-3-chlorophenyl]acetate
CID 70985035
ethyl 2-[3-chloro-4-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetate
CID 70985006
ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate
CID 143840555
methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55772777
ethyl 2-[4-(4-amino-3-methylphenoxy)-3-chlorophenyl]acetate
CID 89159471
ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate
CID 70985167
ethyl 2-[3-chloro-4-[4-(6,7-dihydro-1H-benzimidazole-2-carbonylamino)phenoxy]phenyl]acetate
CID 143840537
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate
CID 23453048
2-[3-chloro-4-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenoxy]phenyl]acetic acid
CID 70985116
ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate
CID 70985038

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate?
The IUPAC name of ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate (CID 70984916) is ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate is CCOC(=O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(OC)c3)cc2)c(Cl)c1.
What is the InChIKey of ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate?
The InChIKey is GQJOCHACMUZCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO5/c1-3-31-23(28)13-15-4-11-21(20(26)12-15)32-18-8-6-17(7-9-18)27-24(29)16-5-10-19(25)22(14-16)30-2/h4-12,14H,3,13H2,1-2H3,(H,27,29).
What are the key properties of ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate?
ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate has a molecular weight of 474.34 g/mol, XLogP of 6.15, 8 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-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate is sourced from PubChem (CID 70984916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).