ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate

C20H21Cl2NO4 — CID 18848348

IUPACethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)OCC)cc2)cc1Cl
InChIInChI=1S/C20H21Cl2NO4/c1-3-5-10-27-18-16(21)11-14(12-17(18)22)19(24)23-15-8-6-13(7-9-15)20(25)26-4-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,24)
InChIKeyJGLVTYRNOBAUCC-UHFFFAOYSA-N
MW410.30 g/mol
LogP5.60
Rot. Bonds8

About ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate

ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate (PubChem CID 18848348) has the molecular formula C20H21Cl2NO4 and a molecular weight of 410.30 g/mol. Its IUPAC name is ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate
PubChem CID18848348
Molecular FormulaC20H21Cl2NO4
Molecular Weight410.30 g/mol
Exact Mass409.08
IUPAC Nameethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)OCC)cc2)cc1Cl
InChIInChI=1S/C20H21Cl2NO4/c1-3-5-10-27-18-16(21)11-14(12-17(18)22)19(24)23-15-8-6-13(7-9-15)20(25)26-4-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,24)
InChIKeyJGLVTYRNOBAUCC-UHFFFAOYSA-N
XLogP5.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
butyl 4-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]benzoate
CID 24590767
3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide
CID 18848400
butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate
CID 44871422
ethyl 2-[(4-butoxy-3,5-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 18848768
4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
CID 7412426
N-[(4-aminophenyl)carbamothioyl]-4-butoxy-3,5-dichlorobenzamide
CID 87564001
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate (CID 18848348) is ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate is CCCCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)OCC)cc2)cc1Cl.
What is the InChIKey of ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate?
The InChIKey is JGLVTYRNOBAUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO4/c1-3-5-10-27-18-16(21)11-14(12-17(18)22)19(24)23-15-8-6-13(7-9-15)20(25)26-4-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,24).
What are the key properties of ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate?
ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate has a molecular weight of 410.30 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate is sourced from PubChem (CID 18848348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).