ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate

C16H13Cl2NO3 — CID 769408

IUPACethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H13Cl2NO3/c1-2-22-16(21)10-4-3-5-12(8-10)19-15(20)13-7-6-11(17)9-14(13)18/h3-9H,2H2,1H3,(H,19,20)
InChIKeyICXNBZUTYKMQGL-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.42
Rot. Bonds4

About ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate

ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate (PubChem CID 769408) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
PubChem CID769408
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Nameethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H13Cl2NO3/c1-2-22-16(21)10-4-3-5-12(8-10)19-15(20)13-7-6-11(17)9-14(13)18/h3-9H,2H2,1H3,(H,19,20)
InChIKeyICXNBZUTYKMQGL-UHFFFAOYSA-N
XLogP4.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
CID 71508678
ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate
CID 3759003
3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
CID 87323399
ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 22646291
2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide
CID 170896449
[2-(4-nitrophenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 1106704
ethyl 3-(3-chloroanilino)benzoate
CID 82535753
methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate
CID 28748885
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
propyl 3-[(4-chloro-2-nitrobenzoyl)amino]benzoate
CID 19171818
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate?
The IUPAC name of ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate (CID 769408) is ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate?
The InChIKey is ICXNBZUTYKMQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-2-22-16(21)10-4-3-5-12(8-10)19-15(20)13-7-6-11(17)9-14(13)18/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate?
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate has a molecular weight of 338.19 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate is sourced from PubChem (CID 769408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).