2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid

C16H15Cl2NO2 — CID 65057794

IUPAC2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid
SMILESCC(c1ccccc1Cl)N(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NO2/c1-11(14-7-2-3-8-15(14)18)19(10-16(20)21)13-6-4-5-12(17)9-13/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyMIXBSJPIYPKGAX-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.65
Rot. Bonds5

About 2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid

2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid (PubChem CID 65057794) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid
PubChem CID65057794
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid
SMILESCC(c1ccccc1Cl)N(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NO2/c1-11(14-7-2-3-8-15(14)18)19(10-16(20)21)13-6-4-5-12(17)9-13/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyMIXBSJPIYPKGAX-UHFFFAOYSA-N
XLogP4.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65058859
2-[3-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]anilino]acetic acid
CID 65057697
2-[3-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]anilino]acetic acid
CID 106758937
2-[3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]anilino]acetic acid
CID 65057847
3-[3-chloro-N-(1-phenylethyl)anilino]propanoic acid
CID 82318339
2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid
CID 65057499
(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
CID 124583979
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
CID 54996152
2-[N-[1-(5-bromo-2-fluorophenyl)ethyl]anilino]acetic acid
CID 82956987
2-[[1-(2-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62984778
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide
CID 60505511
2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid
CID 61186137

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid?
The IUPAC name of 2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid (CID 65057794) is 2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid.
What is the SMILES notation for 2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid?
The canonical SMILES for 2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid is CC(c1ccccc1Cl)N(CC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid?
The InChIKey is MIXBSJPIYPKGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-11(14-7-2-3-8-15(14)18)19(10-16(20)21)13-6-4-5-12(17)9-13/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid?
2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid has a molecular weight of 324.21 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid is sourced from PubChem (CID 65057794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).