methyl 4-(3-chloro-4-methoxyanilino)benzoate

C15H14ClNO3 — CID 175119032

IUPACmethyl 4-(3-chloro-4-methoxyanilino)benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3/c1-19-14-8-7-12(9-13(14)16)17-11-5-3-10(4-6-11)15(18)20-2/h3-9,17H,1-2H3
InChIKeyASVQIJDPJIRKRG-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.88
Rot. Bonds4

About methyl 4-(3-chloro-4-methoxyanilino)benzoate

methyl 4-(3-chloro-4-methoxyanilino)benzoate (PubChem CID 175119032) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is methyl 4-(3-chloro-4-methoxyanilino)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-chloro-4-methoxyanilino)benzoate
PubChem CID175119032
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Namemethyl 4-(3-chloro-4-methoxyanilino)benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3/c1-19-14-8-7-12(9-13(14)16)17-11-5-3-10(4-6-11)15(18)20-2/h3-9,17H,1-2H3
InChIKeyASVQIJDPJIRKRG-UHFFFAOYSA-N
XLogP3.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
4-(3-chloro-4-methoxyanilino)phenol
CID 82537279
methyl 4-[[3-chloro-4-(3-chloro-4-methoxyanilino)-2,5-dioxopyrrol-1-yl]methyl]benzoate
CID 1179343
methyl 4-[3-(3-chloro-4-methoxyanilino)propanoylamino]benzoate
CID 109039039
tert-butyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987219
ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987218
4-[[6-(3-chloro-4-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192962
4-O-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7488857
methyl 4-[[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]methyl]benzoate
CID 111024056
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110823882
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chloro-4-methoxyanilino)benzoate?
The IUPAC name of methyl 4-(3-chloro-4-methoxyanilino)benzoate (CID 175119032) is methyl 4-(3-chloro-4-methoxyanilino)benzoate.
What is the SMILES notation for methyl 4-(3-chloro-4-methoxyanilino)benzoate?
The canonical SMILES for methyl 4-(3-chloro-4-methoxyanilino)benzoate is COC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of methyl 4-(3-chloro-4-methoxyanilino)benzoate?
The InChIKey is ASVQIJDPJIRKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-14-8-7-12(9-13(14)16)17-11-5-3-10(4-6-11)15(18)20-2/h3-9,17H,1-2H3.
What are the key properties of methyl 4-(3-chloro-4-methoxyanilino)benzoate?
methyl 4-(3-chloro-4-methoxyanilino)benzoate has a molecular weight of 291.73 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chloro-4-methoxyanilino)benzoate is sourced from PubChem (CID 175119032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).