5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid

C16H11Cl2NO6 — CID 99989520

IUPAC5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid
SMILESO=C(COc1cc(C(=O)O)cc(C(=O)O)c1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H11Cl2NO6/c17-10-4-11(18)6-12(5-10)19-14(20)7-25-13-2-8(15(21)22)1-9(3-13)16(23)24/h1-6H,7H2,(H,19,20)(H,21,22)(H,23,24)
InChIKeyDTYMHLGANUROSC-UHFFFAOYSA-N
MW384.17 g/mol
LogP3.41
Rot. Bonds6

About 5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid

5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid (PubChem CID 99989520) has the molecular formula C16H11Cl2NO6 and a molecular weight of 384.17 g/mol. Its IUPAC name is 5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid
PubChem CID99989520
Molecular FormulaC16H11Cl2NO6
Molecular Weight384.17 g/mol
Exact Mass383.00
IUPAC Name5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid
SMILESO=C(COc1cc(C(=O)O)cc(C(=O)O)c1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H11Cl2NO6/c17-10-4-11(18)6-12(5-10)19-14(20)7-25-13-2-8(15(21)22)1-9(3-13)16(23)24/h1-6H,7H2,(H,19,20)(H,21,22)(H,23,24)
InChIKeyDTYMHLGANUROSC-UHFFFAOYSA-N
XLogP3.41
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.17
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 17359281
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467602
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
3-chloro-5-[(2-phenoxyacetyl)amino]benzamide
CID 154872841
2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid
CID 2732298
N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
CID 18870351
methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695186
N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
CID 18870439
2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid
CID 11302225
N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide
CID 1014402
2-[4-(4-benzylpiperazine-1-carbothioyl)phenoxy]-N-(3,5-dichlorophenyl)acetamide
CID 126256819

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid (CID 99989520) is 5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid is O=C(COc1cc(C(=O)O)cc(C(=O)O)c1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid?
The InChIKey is DTYMHLGANUROSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO6/c17-10-4-11(18)6-12(5-10)19-14(20)7-25-13-2-8(15(21)22)1-9(3-13)16(23)24/h1-6H,7H2,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid?
5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid has a molecular weight of 384.17 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 99989520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).