ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate

C18H18ClNO5 — CID 26253075

IUPACethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H18ClNO5/c1-4-25-18(22)11-5-7-13(8-6-11)20-17(21)12-9-14(19)16(24-3)15(10-12)23-2/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyLSOLNFCZWHTQRO-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.79
Rot. Bonds6

About ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate

ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate (PubChem CID 26253075) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
PubChem CID26253075
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Nameethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H18ClNO5/c1-4-25-18(22)11-5-7-13(8-6-11)20-17(21)12-9-14(19)16(24-3)15(10-12)23-2/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyLSOLNFCZWHTQRO-UHFFFAOYSA-N
XLogP3.79
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate
CID 18848348
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 28631326
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
butyl 4-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]benzoate
CID 24590767
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841
[2-(4-carbamoylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499683
ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate
CID 23881279
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate (CID 26253075) is ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1.
What is the InChIKey of ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate?
The InChIKey is LSOLNFCZWHTQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-4-25-18(22)11-5-7-13(8-6-11)20-17(21)12-9-14(19)16(24-3)15(10-12)23-2/h5-10H,4H2,1-3H3,(H,20,21).
What are the key properties of ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate?
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate has a molecular weight of 363.80 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 26253075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).