ethyl 3-(3-chloroanilino)benzoate

C15H14ClNO2 — CID 82535753

IUPACethyl 3-(3-chloroanilino)benzoate
SMILESCCOC(=O)c1cccc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c1-2-19-15(18)11-5-3-7-13(9-11)17-14-8-4-6-12(16)10-14/h3-10,17H,2H2,1H3
InChIKeyPFBAUJITAPCDOJ-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.26
Rot. Bonds4

About ethyl 3-(3-chloroanilino)benzoate

ethyl 3-(3-chloroanilino)benzoate (PubChem CID 82535753) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is ethyl 3-(3-chloroanilino)benzoate.

Molecular Properties

Compound Nameethyl 3-(3-chloroanilino)benzoate
PubChem CID82535753
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Nameethyl 3-(3-chloroanilino)benzoate
SMILESCCOC(=O)c1cccc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c1-2-19-15(18)11-5-3-7-13(9-11)17-14-8-4-6-12(16)10-14/h3-10,17H,2H2,1H3
InChIKeyPFBAUJITAPCDOJ-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-amino-4-(3-chloroanilino)benzoate
CID 61307975
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate
CID 82535073
ethyl 2-(3-chloroanilino)benzoate
CID 70679381
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]amino]benzoate
CID 22512324
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
ethyl 3-(2-aminoanilino)benzoate
CID 59419795
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
CID 71508678
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 3-[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzoate
CID 23282776
ethyl 3-(3-chloroanilino)-1H-pyrrole-2-carboxylate
CID 67068489

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-chloroanilino)benzoate?
The IUPAC name of ethyl 3-(3-chloroanilino)benzoate (CID 82535753) is ethyl 3-(3-chloroanilino)benzoate.
What is the SMILES notation for ethyl 3-(3-chloroanilino)benzoate?
The canonical SMILES for ethyl 3-(3-chloroanilino)benzoate is CCOC(=O)c1cccc(Nc2cccc(Cl)c2)c1.
What is the InChIKey of ethyl 3-(3-chloroanilino)benzoate?
The InChIKey is PFBAUJITAPCDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-2-19-15(18)11-5-3-7-13(9-11)17-14-8-4-6-12(16)10-14/h3-10,17H,2H2,1H3.
What are the key properties of ethyl 3-(3-chloroanilino)benzoate?
ethyl 3-(3-chloroanilino)benzoate has a molecular weight of 275.74 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-chloroanilino)benzoate is sourced from PubChem (CID 82535753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).