2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid

C11H11Cl2NO2 — CID 79173270

IUPAC2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid
SMILESO=C(O)CN(CC(Cl)=CCl)c1ccccc1
InChIInChI=1S/C11H11Cl2NO2/c12-6-9(13)7-14(8-11(15)16)10-4-2-1-3-5-10/h1-6H,7-8H2,(H,15,16)
InChIKeyNYURKYMJMMUQPC-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.90
Rot. Bonds5

About 2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid

2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid (PubChem CID 79173270) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid
PubChem CID79173270
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid
SMILESO=C(O)CN(CC(Cl)=CCl)c1ccccc1
InChIInChI=1S/C11H11Cl2NO2/c12-6-9(13)7-14(8-11(15)16)10-4-2-1-3-5-10/h1-6H,7-8H2,(H,15,16)
InChIKeyNYURKYMJMMUQPC-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-(2-fluoroethyl)anilino]acetic acid
CID 80695763
2-[N-(3,3,3-trifluoropropyl)anilino]acetic acid
CID 64566938
2-(N-sulfanylanilino)acetic acid
CID 87905389
2-(N-prop-2-ynylanilino)acetic acid
CID 60839094
2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 60839780
2-(N-(3-hydroxy-3-methylbutyl)anilino)acetic acid
CID 79354763
2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid
CID 60839603
2-[N-[(3,4-dihydroxyphenyl)methyl]anilino]acetic acid
CID 65056826
2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid
CID 25219996
2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid
CID 65059622
2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid
CID 114322179
2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid
CID 59212023

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid?
The IUPAC name of 2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid (CID 79173270) is 2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid is O=C(O)CN(CC(Cl)=CCl)c1ccccc1.
What is the InChIKey of 2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid?
The InChIKey is NYURKYMJMMUQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c12-6-9(13)7-14(8-11(15)16)10-4-2-1-3-5-10/h1-6H,7-8H2,(H,15,16).
What are the key properties of 2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid?
2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid has a molecular weight of 260.12 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid is sourced from PubChem (CID 79173270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).