ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate

C19H20ClNO6 — CID 28631326

IUPACethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C19H20ClNO6/c1-5-27-19(23)13-7-6-12(10-14(13)20)21-18(22)11-8-15(24-2)17(26-4)16(9-11)25-3/h6-10H,5H2,1-4H3,(H,21,22)
InChIKeySMEADZQYQVTUQE-UHFFFAOYSA-N
MW393.82 g/mol
LogP3.79
Rot. Bonds7

About ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate

ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate (PubChem CID 28631326) has the molecular formula C19H20ClNO6 and a molecular weight of 393.82 g/mol. Its IUPAC name is ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
PubChem CID28631326
Molecular FormulaC19H20ClNO6
Molecular Weight393.82 g/mol
Exact Mass393.10
IUPAC Nameethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C19H20ClNO6/c1-5-27-19(23)13-7-6-12(10-14(13)20)21-18(22)11-8-15(24-2)17(26-4)16(9-11)25-3/h6-10H,5H2,1-4H3,(H,21,22)
InChIKeySMEADZQYQVTUQE-UHFFFAOYSA-N
XLogP3.79
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
CID 92673889
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate
CID 92683570
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
CID 11654003
ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 100625550
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507323
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 28564603
ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 92671761

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate (CID 28631326) is ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl.
What is the InChIKey of ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate?
The InChIKey is SMEADZQYQVTUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO6/c1-5-27-19(23)13-7-6-12(10-14(13)20)21-18(22)11-8-15(24-2)17(26-4)16(9-11)25-3/h6-10H,5H2,1-4H3,(H,21,22).
What are the key properties of ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate?
ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate has a molecular weight of 393.82 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 28631326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).