dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate

C19H18ClNO6 — CID 17296382

IUPACdimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCCOc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C19H18ClNO6/c1-4-27-16-6-5-13(20)10-15(16)17(22)21-14-8-11(18(23)25-2)7-12(9-14)19(24)26-3/h5-10H,4H2,1-3H3,(H,21,22)
InChIKeyFVWCQUFPBQACPS-UHFFFAOYSA-N
MW391.81 g/mol
LogP3.56
Rot. Bonds6

About dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate (PubChem CID 17296382) has the molecular formula C19H18ClNO6 and a molecular weight of 391.81 g/mol. Its IUPAC name is dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate
PubChem CID17296382
Molecular FormulaC19H18ClNO6
Molecular Weight391.81 g/mol
Exact Mass391.08
IUPAC Namedimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCCOc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C19H18ClNO6/c1-4-27-16-6-5-13(20)10-15(16)17(22)21-14-8-11(18(23)25-2)7-12(9-14)19(24)26-3/h5-10H,4H2,1-3H3,(H,21,22)
InChIKeyFVWCQUFPBQACPS-UHFFFAOYSA-N
XLogP3.56
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate
CID 26586202
dimethyl 5-[(5-chloro-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 1358921
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] diethyl phosphate
CID 73334324
5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide
CID 18128122
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1355426
5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374
dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 2210400
5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide
CID 8530810
5-bromo-2-[(5-chloro-2-ethoxybenzoyl)amino]benzoate
CID 9320369
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947
dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 17433803
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate (CID 17296382) is dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate is CCOc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is FVWCQUFPBQACPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO6/c1-4-27-16-6-5-13(20)10-15(16)17(22)21-14-8-11(18(23)25-2)7-12(9-14)19(24)26-3/h5-10H,4H2,1-3H3,(H,21,22).
What are the key properties of dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 391.81 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 17296382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).