4-acetamido-3,5-dichloro-2-hydroxybenzoic acid

C9H7Cl2NO4 — CID 172866613

IUPAC4-acetamido-3,5-dichloro-2-hydroxybenzoic acid
SMILESCC(=O)Nc1c(Cl)cc(C(=O)O)c(O)c1Cl
InChIInChI=1S/C9H7Cl2NO4/c1-3(13)12-7-5(10)2-4(9(15)16)8(14)6(7)11/h2,14H,1H3,(H,12,13)(H,15,16)
InChIKeyYUZCLQQORNLBJP-UHFFFAOYSA-N
MW264.06 g/mol
LogP2.36
Rot. Bonds2

About 4-acetamido-3,5-dichloro-2-hydroxybenzoic acid

4-acetamido-3,5-dichloro-2-hydroxybenzoic acid (PubChem CID 172866613) has the molecular formula C9H7Cl2NO4 and a molecular weight of 264.06 g/mol. Its IUPAC name is 4-acetamido-3,5-dichloro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-acetamido-3,5-dichloro-2-hydroxybenzoic acid
PubChem CID172866613
Molecular FormulaC9H7Cl2NO4
Molecular Weight264.06 g/mol
Exact Mass262.98
IUPAC Name4-acetamido-3,5-dichloro-2-hydroxybenzoic acid
SMILESCC(=O)Nc1c(Cl)cc(C(=O)O)c(O)c1Cl
InChIInChI=1S/C9H7Cl2NO4/c1-3(13)12-7-5(10)2-4(9(15)16)8(14)6(7)11/h2,14H,1H3,(H,12,13)(H,15,16)
InChIKeyYUZCLQQORNLBJP-UHFFFAOYSA-N
XLogP2.36
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-acetamido-3,5-dichloro-2-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-2,4,6-trichloro-5-hydroxybenzoic acid
CID 86105784
N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide
CID 22719099
3-acetamido-5-chloro-2-hydroxybenzoic acid
CID 165348968
N-(3-acetyl-2,6-dichloro-4-hydroxyphenyl)acetamide
CID 134159183
N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide
CID 22719120
3-chloro-2,4-dihydroxy-5-methylbenzoic acid
CID 84776985
5-chloro-2,4-dihydroxy-3-methylbenzoic acid
CID 22169093
2,3,5-trichloro-4-hydroxybenzoic acid
CID 23600077
4-acetamido-3-bromo-5-(chloromethyl)-2-hydroxybenzoic acid
CID 175366373
3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid
CID 161415346
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
N-(2,3,4-trichloro-6-methylphenyl)acetamide
CID 88800520

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3,5-dichloro-2-hydroxybenzoic acid?
The IUPAC name of 4-acetamido-3,5-dichloro-2-hydroxybenzoic acid (CID 172866613) is 4-acetamido-3,5-dichloro-2-hydroxybenzoic acid.
What is the SMILES notation for 4-acetamido-3,5-dichloro-2-hydroxybenzoic acid?
The canonical SMILES for 4-acetamido-3,5-dichloro-2-hydroxybenzoic acid is CC(=O)Nc1c(Cl)cc(C(=O)O)c(O)c1Cl.
What is the InChIKey of 4-acetamido-3,5-dichloro-2-hydroxybenzoic acid?
The InChIKey is YUZCLQQORNLBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO4/c1-3(13)12-7-5(10)2-4(9(15)16)8(14)6(7)11/h2,14H,1H3,(H,12,13)(H,15,16).
What are the key properties of 4-acetamido-3,5-dichloro-2-hydroxybenzoic acid?
4-acetamido-3,5-dichloro-2-hydroxybenzoic acid has a molecular weight of 264.06 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3,5-dichloro-2-hydroxybenzoic acid is sourced from PubChem (CID 172866613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).