ethyl 2-(4-chloroanilino)benzoate

C15H14ClNO2 — CID 82535773

IUPACethyl 2-(4-chloroanilino)benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c1-2-19-15(18)13-5-3-4-6-14(13)17-12-9-7-11(16)8-10-12/h3-10,17H,2H2,1H3
InChIKeyVQSNGDVUJSBDOR-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.26
Rot. Bonds4

About ethyl 2-(4-chloroanilino)benzoate

ethyl 2-(4-chloroanilino)benzoate (PubChem CID 82535773) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is ethyl 2-(4-chloroanilino)benzoate.

Molecular Properties

Compound Nameethyl 2-(4-chloroanilino)benzoate
PubChem CID82535773
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Nameethyl 2-(4-chloroanilino)benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c1-2-19-15(18)13-5-3-4-6-14(13)17-12-9-7-11(16)8-10-12/h3-10,17H,2H2,1H3
InChIKeyVQSNGDVUJSBDOR-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-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
ethyl 2-(3-chloroanilino)benzoate
CID 70679381
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
ethyl 2-[[6-[(4-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037011
ethyl 5-amino-2-(4-chloroanilino)benzoate
CID 61306369
ethyl 2-[4-(methanesulfonamido)anilino]benzoate
CID 112989811
ethyl 2-(2-aminoanilino)benzoate
CID 131846844
ethyl 2-[[5-[(4-chlorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163526
ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate
CID 112989771
ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
ethyl 2-[[2-(4-chloroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177554
ethyl 2-[3-chloro-4-[N-hydroxy-C-(2-methylphenyl)carbonimidoyl]anilino]benzoate
CID 87790844

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloroanilino)benzoate?
The IUPAC name of ethyl 2-(4-chloroanilino)benzoate (CID 82535773) is ethyl 2-(4-chloroanilino)benzoate.
What is the SMILES notation for ethyl 2-(4-chloroanilino)benzoate?
The canonical SMILES for ethyl 2-(4-chloroanilino)benzoate is CCOC(=O)c1ccccc1Nc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chloroanilino)benzoate?
The InChIKey is VQSNGDVUJSBDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-2-19-15(18)13-5-3-4-6-14(13)17-12-9-7-11(16)8-10-12/h3-10,17H,2H2,1H3.
What are the key properties of ethyl 2-(4-chloroanilino)benzoate?
ethyl 2-(4-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-(4-chloroanilino)benzoate is sourced from PubChem (CID 82535773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).