3-(2,3-dichloro-N-formylanilino)propanoic acid

C10H9Cl2NO3 — CID 20848381

IUPAC3-(2,3-dichloro-N-formylanilino)propanoic acid
SMILESO=CN(CCC(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H9Cl2NO3/c11-7-2-1-3-8(10(7)12)13(6-14)5-4-9(15)16/h1-3,6H,4-5H2,(H,15,16)
InChIKeyVOKUGCQZJGKQHM-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.43
Rot. Bonds5

About 3-(2,3-dichloro-N-formylanilino)propanoic acid

3-(2,3-dichloro-N-formylanilino)propanoic acid (PubChem CID 20848381) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is 3-(2,3-dichloro-N-formylanilino)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dichloro-N-formylanilino)propanoic acid
PubChem CID20848381
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name3-(2,3-dichloro-N-formylanilino)propanoic acid
SMILESO=CN(CCC(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H9Cl2NO3/c11-7-2-1-3-8(10(7)12)13(6-14)5-4-9(15)16/h1-3,6H,4-5H2,(H,15,16)
InChIKeyVOKUGCQZJGKQHM-UHFFFAOYSA-N
XLogP2.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Related Compounds

3-(N-butanoyl-2,3-dichloroanilino)propanoic acid
CID 82320766
3-(5-chloro-N-formyl-2-methoxyanilino)propanoic acid
CID 20848120
3-(3-chloro-N-ethylsulfonyl-2-methylanilino)propanoic acid
CID 50895515
3-(N-formyl-4-propan-2-ylanilino)propanoic acid
CID 20848643
3-(N-butanoyl-2,6-dichloroanilino)propanoic acid
CID 82320751
3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057352
3-(2,6-dichloro-N-prop-2-enylanilino)propanoic acid
CID 82317554
2-[N-(2-carboxyethyl)-3-chloro-2-methylanilino]propanoic acid
CID 82317155
3-[(2-chlorophenyl)methyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329777
3-[2-chloro-N-(2-methylpropanoyl)anilino]propanoic acid
CID 28764433
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
(2S)-2-(2,3-dichloro-N-ethylanilino)butanoic acid
CID 100519897

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloro-N-formylanilino)propanoic acid?
The IUPAC name of 3-(2,3-dichloro-N-formylanilino)propanoic acid (CID 20848381) is 3-(2,3-dichloro-N-formylanilino)propanoic acid.
What is the SMILES notation for 3-(2,3-dichloro-N-formylanilino)propanoic acid?
The canonical SMILES for 3-(2,3-dichloro-N-formylanilino)propanoic acid is O=CN(CCC(=O)O)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichloro-N-formylanilino)propanoic acid?
The InChIKey is VOKUGCQZJGKQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c11-7-2-1-3-8(10(7)12)13(6-14)5-4-9(15)16/h1-3,6H,4-5H2,(H,15,16).
What are the key properties of 3-(2,3-dichloro-N-formylanilino)propanoic acid?
3-(2,3-dichloro-N-formylanilino)propanoic acid has a molecular weight of 262.09 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloro-N-formylanilino)propanoic acid is sourced from PubChem (CID 20848381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).