ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate

C22H20Cl2N2O2 — CID 2803865

IUPACethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(c1ccccc1)C(Nc1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C22H20Cl2N2O2/c1-2-28-22(27)20(15-8-4-3-5-9-15)21(19-10-6-7-13-25-19)26-16-11-12-17(23)18(24)14-16/h3-14,20-21,26H,2H2,1H3
InChIKeyDLJGMFPFKWJQMF-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.89
Rot. Bonds7

About ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate

ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate (PubChem CID 2803865) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
PubChem CID2803865
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Nameethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(c1ccccc1)C(Nc1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C22H20Cl2N2O2/c1-2-28-22(27)20(15-8-4-3-5-9-15)21(19-10-6-7-13-25-19)26-16-11-12-17(23)18(24)14-16/h3-14,20-21,26H,2H2,1H3
InChIKeyDLJGMFPFKWJQMF-UHFFFAOYSA-N
XLogP5.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
CID 2803848
Ethyl 3-[3,5-di(trifluoromethyl)anilino]-2-phenyl-3-(2-pyridyl)propanoate
CID 2803847
Ethyl 3-anilino-2-phenyl-3-(2-pyridyl)propanoate
CID 2803853
N-[(2S)-1-[4-(5-chloro-2-fluorophenyl)phenyl]-5-methoxy-5-oxo-4-pyridin-2-ylpentan-2-yl]-methylboronamidic acid
CID 137528949
3-Anilino-3-(4'-pyridyl)-2-phenylpropanoic acid
CID 129707379
ethyl (2S,3S)-3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
CID 6977706
ethyl (2R,3S)-3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
CID 6977707
ethyl (2S,3R)-3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
CID 6977708
ethyl (2R,3R)-3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
CID 6977709
ethyl (2S,3S)-3-[3,5-bis(trifluoromethyl)anilino]-2-phenyl-3-pyridin-2-ylpropanoate
CID 40778417
ethyl (2R,3S)-3-[3,5-bis(trifluoromethyl)anilino]-2-phenyl-3-pyridin-2-ylpropanoate
CID 40778418
ethyl (2S,3R)-3-[3,5-bis(trifluoromethyl)anilino]-2-phenyl-3-pyridin-2-ylpropanoate
CID 40778420

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate (CID 2803865) is ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate is CCOC(=O)C(c1ccccc1)C(Nc1ccc(Cl)c(Cl)c1)c1ccccn1.
What is the InChIKey of ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate?
The InChIKey is DLJGMFPFKWJQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-2-28-22(27)20(15-8-4-3-5-9-15)21(19-10-6-7-13-25-19)26-16-11-12-17(23)18(24)14-16/h3-14,20-21,26H,2H2,1H3.
What are the key properties of ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate?
ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate has a molecular weight of 415.32 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,4-dichloroanilino)-2-phenyl-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 2803865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).