3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid

C15H11Cl2NO5 — CID 108753972

IUPAC3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1cc(C(=O)O)ccc1O
InChIInChI=1S/C15H11Cl2NO5/c16-9-2-4-13(10(17)6-9)23-7-14(20)18-11-5-8(15(21)22)1-3-12(11)19/h1-6,19H,7H2,(H,18,20)(H,21,22)
InChIKeyDYPXANAIOXAZIW-UHFFFAOYSA-N
MW356.16 g/mol
LogP3.41
Rot. Bonds5

About 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid

3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid (PubChem CID 108753972) has the molecular formula C15H11Cl2NO5 and a molecular weight of 356.16 g/mol. Its IUPAC name is 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid
PubChem CID108753972
Molecular FormulaC15H11Cl2NO5
Molecular Weight356.16 g/mol
Exact Mass355.00
IUPAC Name3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1cc(C(=O)O)ccc1O
InChIInChI=1S/C15H11Cl2NO5/c16-9-2-4-13(10(17)6-9)23-7-14(20)18-11-5-8(15(21)22)1-3-12(11)19/h1-6,19H,7H2,(H,18,20)(H,21,22)
InChIKeyDYPXANAIOXAZIW-UHFFFAOYSA-N
XLogP3.41
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
CID 166178801
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28676331
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-4-methylbenzoic acid
CID 45429183
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
3-chloro-4-[2-(2-ethoxyanilino)-2-oxoethoxy]benzoic acid
CID 45418602
5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
3-chloro-4-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 60693388
methyl 3-chloro-4-[2-(2,5-dichloroanilino)-2-oxoethoxy]benzoate
CID 55321046
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide
CID 55706042

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid (CID 108753972) is 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid is O=C(COc1ccc(Cl)cc1Cl)Nc1cc(C(=O)O)ccc1O.
What is the InChIKey of 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid?
The InChIKey is DYPXANAIOXAZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO5/c16-9-2-4-13(10(17)6-9)23-7-14(20)18-11-5-8(15(21)22)1-3-12(11)19/h1-6,19H,7H2,(H,18,20)(H,21,22).
What are the key properties of 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid?
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid has a molecular weight of 356.16 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid is sourced from PubChem (CID 108753972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).