ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate

C24H24ClNO3 — CID 143046126

IUPACethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(Nc2cccc(OCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C24H24ClNO3/c1-2-28-24(27)14-12-19-11-13-21(16-23(19)25)26-20-9-6-10-22(15-20)29-17-18-7-4-3-5-8-18/h3-11,13,15-16,26H,2,12,14,17H2,1H3
InChIKeyWJNCHDWYRZBXAL-UHFFFAOYSA-N
MW409.91 g/mol
LogP6.16
Rot. Bonds9

About ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate

ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate (PubChem CID 143046126) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate
PubChem CID143046126
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Nameethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(Nc2cccc(OCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C24H24ClNO3/c1-2-28-24(27)14-12-19-11-13-21(16-23(19)25)26-20-9-6-10-22(15-20)29-17-18-7-4-3-5-8-18/h3-11,13,15-16,26H,2,12,14,17H2,1H3
InChIKeyWJNCHDWYRZBXAL-UHFFFAOYSA-N
XLogP6.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
ethyl 3-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-2-fluorophenyl]propanoate
CID 51349730
4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516199
ethyl 3-[4-(3-butoxyphenyl)sulfanyl-2-chlorophenyl]propanoate
CID 70850205
[(1S)-3-ethoxy-3-oxo-1-(3-phenylmethoxyphenyl)propyl]azanium
CID 7046970
ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate
CID 170797112
ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate
CID 86073966
ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate
CID 68883694
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate?
The IUPAC name of ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate (CID 143046126) is ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate?
The canonical SMILES for ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate is CCOC(=O)CCc1ccc(Nc2cccc(OCc3ccccc3)c2)cc1Cl.
What is the InChIKey of ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate?
The InChIKey is WJNCHDWYRZBXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3/c1-2-28-24(27)14-12-19-11-13-21(16-23(19)25)26-20-9-6-10-22(15-20)29-17-18-7-4-3-5-8-18/h3-11,13,15-16,26H,2,12,14,17H2,1H3.
What are the key properties of ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate?
ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate has a molecular weight of 409.91 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-chloro-4-(3-phenylmethoxyanilino)phenyl]propanoate is sourced from PubChem (CID 143046126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).