2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid

C15H15ClN2O2 — CID 60892663

IUPAC2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid
SMILESO=C(O)CN(CCc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-13-1-3-14(4-2-13)18(11-15(19)20)10-7-12-5-8-17-9-6-12/h1-6,8-9H,7,10-11H2,(H,19,20)
InChIKeyZUIKPRJNBYMRMA-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.87
Rot. Bonds6

About 2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid

2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid (PubChem CID 60892663) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid
PubChem CID60892663
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid
SMILESO=C(O)CN(CCc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-13-1-3-14(4-2-13)18(11-15(19)20)10-7-12-5-8-17-9-6-12/h1-6,8-9H,7,10-11H2,(H,19,20)
InChIKeyZUIKPRJNBYMRMA-UHFFFAOYSA-N
XLogP2.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid
CID 60891884
N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 24844517
2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid
CID 63775345
2-(4-chloro-N-pentylanilino)acetic acid
CID 60834965
4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid
CID 60892078
2-[4-chloro-N-(3-methylbut-3-enyl)anilino]acetic acid
CID 114473132
2-(4-chloro-N-hexylanilino)acetic acid
CID 60834817
2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid
CID 60834959
2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154839
2-(4-chloro-N-[3-(methylamino)-3-oxopropyl]anilino)acetic acid
CID 62324660
2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 51131658
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid?
The IUPAC name of 2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid (CID 60892663) is 2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid?
The canonical SMILES for 2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid is O=C(O)CN(CCc1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid?
The InChIKey is ZUIKPRJNBYMRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-13-1-3-14(4-2-13)18(11-15(19)20)10-7-12-5-8-17-9-6-12/h1-6,8-9H,7,10-11H2,(H,19,20).
What are the key properties of 2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid?
2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid has a molecular weight of 290.75 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid is sourced from PubChem (CID 60892663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).