2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid

C17H18ClNO2 — CID 60990853

IUPAC2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(C(C)(Nc2cccc(Cl)c2)C(=O)O)cc1
InChIInChI=1S/C17H18ClNO2/c1-3-12-7-9-13(10-8-12)17(2,16(20)21)19-15-6-4-5-14(18)11-15/h4-11,19H,3H2,1-2H3,(H,20,21)
InChIKeyGBHPPWSVZQPPSG-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.31
Rot. Bonds5

About 2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid

2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid (PubChem CID 60990853) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid
PubChem CID60990853
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(C(C)(Nc2cccc(Cl)c2)C(=O)O)cc1
InChIInChI=1S/C17H18ClNO2/c1-3-12-7-9-13(10-8-12)17(2,16(20)21)19-15-6-4-5-14(18)11-15/h4-11,19H,3H2,1-2H3,(H,20,21)
InChIKeyGBHPPWSVZQPPSG-UHFFFAOYSA-N
XLogP4.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-2-(4-chlorophenyl)propanamide
CID 60996711
methyl 2-(3-chloroanilino)-2-phenylpropanoate
CID 60991426
2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
2-(3-chloroanilino)-2-(4-methylphenyl)butanoic acid
CID 60991671
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913
2-(3-fluoroanilino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60992748
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
ethyl 2-anilino-2-(3-chlorophenyl)propanoate
CID 60992307
2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid
CID 71564937
methyl 2-(3-chloroanilino)-2-methylbutanoate
CID 60990615
2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60996840

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid?
The IUPAC name of 2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid (CID 60990853) is 2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid?
The canonical SMILES for 2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid is CCc1ccc(C(C)(Nc2cccc(Cl)c2)C(=O)O)cc1.
What is the InChIKey of 2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid?
The InChIKey is GBHPPWSVZQPPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-12-7-9-13(10-8-12)17(2,16(20)21)19-15-6-4-5-14(18)11-15/h4-11,19H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid?
2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid has a molecular weight of 303.79 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid is sourced from PubChem (CID 60990853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).