ethyl 2-(3-chloroanilino)benzoate

C15H14ClNO2 — CID 70679381

IUPACethyl 2-(3-chloroanilino)benzoate
SMILESCCOC(=O)c1ccccc1Nc1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO2/c1-2-19-15(18)13-8-3-4-9-14(13)17-12-7-5-6-11(16)10-12/h3-10,17H,2H2,1H3
InChIKeyBDSVIFHVMQTODY-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.26
Rot. Bonds4

About ethyl 2-(3-chloroanilino)benzoate

ethyl 2-(3-chloroanilino)benzoate (PubChem CID 70679381) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is ethyl 2-(3-chloroanilino)benzoate.

Molecular Properties

Compound Nameethyl 2-(3-chloroanilino)benzoate
PubChem CID70679381
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Nameethyl 2-(3-chloroanilino)benzoate
SMILESCCOC(=O)c1ccccc1Nc1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO2/c1-2-19-15(18)13-8-3-4-9-14(13)17-12-7-5-6-11(16)10-12/h3-10,17H,2H2,1H3
InChIKeyBDSVIFHVMQTODY-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 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128721
ethyl 2-[[2-(3-chloroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109316861
ethyl 3-(3-chloroanilino)benzoate
CID 82535753
ethyl 3-amino-4-(3-chloroanilino)benzoate
CID 61307975
ethyl 3-(3-chloroanilino)-1H-pyrrole-2-carboxylate
CID 67068489
ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
ethyl 2-[3-chloro-4-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]anilino]benzoate
CID 87790844
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate
CID 12930188
ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220888

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloroanilino)benzoate?
The IUPAC name of ethyl 2-(3-chloroanilino)benzoate (CID 70679381) is ethyl 2-(3-chloroanilino)benzoate.
What is the SMILES notation for ethyl 2-(3-chloroanilino)benzoate?
The canonical SMILES for ethyl 2-(3-chloroanilino)benzoate is CCOC(=O)c1ccccc1Nc1cccc(Cl)c1.
What is the InChIKey of ethyl 2-(3-chloroanilino)benzoate?
The InChIKey is BDSVIFHVMQTODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-2-19-15(18)13-8-3-4-9-14(13)17-12-7-5-6-11(16)10-12/h3-10,17H,2H2,1H3.
What are the key properties of ethyl 2-(3-chloroanilino)benzoate?
ethyl 2-(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 2-(3-chloroanilino)benzoate is sourced from PubChem (CID 70679381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).