2-(2,6-dichloro-N-formylanilino)propanoic acid

C10H9Cl2NO3 — CID 20848183

IUPAC2-(2,6-dichloro-N-formylanilino)propanoic acid
SMILESCC(C(=O)O)N(C=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-6(10(15)16)13(5-14)9-7(11)3-2-4-8(9)12/h2-6H,1H3,(H,15,16)
InChIKeyNNVGQUNGGUIGGL-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.43
Rot. Bonds4

About 2-(2,6-dichloro-N-formylanilino)propanoic acid

2-(2,6-dichloro-N-formylanilino)propanoic acid (PubChem CID 20848183) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-(2,6-dichloro-N-formylanilino)propanoic acid.

Molecular Properties

Compound Name2-(2,6-dichloro-N-formylanilino)propanoic acid
PubChem CID20848183
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name2-(2,6-dichloro-N-formylanilino)propanoic acid
SMILESCC(C(=O)O)N(C=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-6(10(15)16)13(5-14)9-7(11)3-2-4-8(9)12/h2-6H,1H3,(H,15,16)
InChIKeyNNVGQUNGGUIGGL-UHFFFAOYSA-N
XLogP2.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,6-dichloro-N-formylanilino)propanoic 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

2-[(2-chlorobenzoyl)-methylamino]propanoic acid
CID 62626876
(2,6-dichlorophenyl)-methylcarbamothioic S-acid
CID 87892838
2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid
CID 114488213
4-(2,6-dichlorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79415015
2-(2-chloro-6-hydroxyphenyl)propanoic acid
CID 84733802
2,3-dichlorophenol;2-hydroxypropanoic acid
CID 163936283
2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
methyl 2-(2,6-dichloro-N-(2-fluoroacetyl)anilino)propanoate
CID 21427650
3-[N-(1-carboxyethyl)-3-chloro-2-methylanilino]-2-methylpropanoic acid
CID 82317224
2-(4-chloro-2-fluoro-N-formylanilino)-3-methylbutanoic acid
CID 20848472
3-[N-(1-carboxyethyl)-2-chloroanilino]-2-methylpropanoic acid
CID 82317218
2-[N-(2-carboxyethyl)-3-chloro-2-methylanilino]propanoic acid
CID 82317155

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-N-formylanilino)propanoic acid?
The IUPAC name of 2-(2,6-dichloro-N-formylanilino)propanoic acid (CID 20848183) is 2-(2,6-dichloro-N-formylanilino)propanoic acid.
What is the SMILES notation for 2-(2,6-dichloro-N-formylanilino)propanoic acid?
The canonical SMILES for 2-(2,6-dichloro-N-formylanilino)propanoic acid is CC(C(=O)O)N(C=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichloro-N-formylanilino)propanoic acid?
The InChIKey is NNVGQUNGGUIGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-6(10(15)16)13(5-14)9-7(11)3-2-4-8(9)12/h2-6H,1H3,(H,15,16).
What are the key properties of 2-(2,6-dichloro-N-formylanilino)propanoic acid?
2-(2,6-dichloro-N-formylanilino)propanoic acid has a molecular weight of 262.09 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-N-formylanilino)propanoic acid is sourced from PubChem (CID 20848183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).