2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid

C14H18ClNO3 — CID 65161722

IUPAC2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid
SMILESO=C(O)CN(CCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c15-11-3-5-12(6-4-11)16(10-14(17)18)8-7-13-2-1-9-19-13/h3-6,13H,1-2,7-10H2,(H,17,18)
InChIKeyPTHJMDIHIXUXAL-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.80
Rot. Bonds6

About 2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid

2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid (PubChem CID 65161722) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid
PubChem CID65161722
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid
SMILESO=C(O)CN(CCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c15-11-3-5-12(6-4-11)16(10-14(17)18)8-7-13-2-1-9-19-13/h3-6,13H,1-2,7-10H2,(H,17,18)
InChIKeyPTHJMDIHIXUXAL-UHFFFAOYSA-N
XLogP2.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methyl-N-[2-(oxolan-2-yl)ethyl]anilino]propanoic acid
CID 65162196
2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
CID 119193651
2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid
CID 60833853
2-(4-chloro-N-pentylanilino)acetic acid
CID 60834965
2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid
CID 65161777
2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488
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-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
3-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113127358
2-(4-chloro-N-[3-(methylamino)-3-oxopropyl]anilino)acetic acid
CID 62324660

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid?
The IUPAC name of 2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid (CID 65161722) is 2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid?
The canonical SMILES for 2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid is O=C(O)CN(CCC1CCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid?
The InChIKey is PTHJMDIHIXUXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-11-3-5-12(6-4-11)16(10-14(17)18)8-7-13-2-1-9-19-13/h3-6,13H,1-2,7-10H2,(H,17,18).
What are the key properties of 2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid?
2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid has a molecular weight of 283.75 g/mol, XLogP of 2.80, 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-(oxolan-2-yl)ethyl]anilino]acetic acid is sourced from PubChem (CID 65161722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).