tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate

C26H25Cl2NO4 — CID 59029176

IUPACtert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate
SMILESCC(C)(C)OC(=O)CN(C(=O)c1c(Cl)cccc1Cl)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H25Cl2NO4/c1-26(2,3)33-23(30)16-29(25(31)24-21(27)13-8-14-22(24)28)19-11-7-12-20(15-19)32-17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3
InChIKeyYFCFLHSQOLKQDL-UHFFFAOYSA-N
MW486.40 g/mol
LogP6.56
Rot. Bonds7

About tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate

tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate (PubChem CID 59029176) has the molecular formula C26H25Cl2NO4 and a molecular weight of 486.40 g/mol. Its IUPAC name is tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate
PubChem CID59029176
Molecular FormulaC26H25Cl2NO4
Molecular Weight486.40 g/mol
Exact Mass485.12
IUPAC Nametert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate
SMILESCC(C)(C)OC(=O)CN(C(=O)c1c(Cl)cccc1Cl)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H25Cl2NO4/c1-26(2,3)33-23(30)16-29(25(31)24-21(27)13-8-14-22(24)28)19-11-7-12-20(15-19)32-17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3
InChIKeyYFCFLHSQOLKQDL-UHFFFAOYSA-N
XLogP6.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.40
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-[(3-methoxyphenyl)methoxy]anilino]acetate
CID 59029218
tert-butyl 2-[N-(2,6-dichlorobenzoyl)-3-(2-methylpyrimidin-4-yl)anilino]acetate
CID 59029370
tert-butyl 2-[3-[(2-cyanophenyl)methoxy]-N-(2,6-difluorobenzoyl)anilino]acetate
CID 59029323
tert-butyl 2-(3-acetamido-N-(2,4,6-trichlorobenzoyl)anilino)acetate
CID 59029174
tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(difluoromethoxy)anilino]acetate
CID 59029315
tert-butyl 2-[3-(3-chlorophenyl)-N-(2,4,6-trifluorobenzoyl)anilino]acetate
CID 59029205
tert-butyl 2-[3-[3-chloro-4-(1,1-difluoroethyl)phenyl]-N-(2,6-difluorobenzoyl)anilino]acetate
CID 59593400
tert-butyl 2-(3-acetyl-N-(2,6-difluorobenzoyl)anilino)acetate
CID 59029264
tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate
CID 16664137
tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(4-methylthiophen-2-yl)anilino]acetate
CID 59029413
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(3,4-difluorophenyl)anilino]acetate
CID 59029180

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate?
The IUPAC name of tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate (CID 59029176) is tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate.
What is the SMILES notation for tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate?
The canonical SMILES for tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate is CC(C)(C)OC(=O)CN(C(=O)c1c(Cl)cccc1Cl)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate?
The InChIKey is YFCFLHSQOLKQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2NO4/c1-26(2,3)33-23(30)16-29(25(31)24-21(27)13-8-14-22(24)28)19-11-7-12-20(15-19)32-17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3.
What are the key properties of tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate?
tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate has a molecular weight of 486.40 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate is sourced from PubChem (CID 59029176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).