ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate

C17H15Cl2NO4 — CID 19226453

IUPACethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C17H15Cl2NO4/c1-3-24-17(22)12-8-13(19)14(9-15(12)23-2)20-16(21)10-5-4-6-11(18)7-10/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyVGQUHFHXBFPXFS-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.43
Rot. Bonds5

About ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate

ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate (PubChem CID 19226453) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate.

Molecular Properties

Compound Nameethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate
PubChem CID19226453
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Nameethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C17H15Cl2NO4/c1-3-24-17(22)12-8-13(19)14(9-15(12)23-2)20-16(21)10-5-4-6-11(18)7-10/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyVGQUHFHXBFPXFS-UHFFFAOYSA-N
XLogP4.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate
CID 19229022
ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
CID 19226546
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166979
ethyl 5-chloro-4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-2-methoxybenzoate
CID 19229234
3-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide
CID 24635188
ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate
CID 19227636
ethyl 5-chloro-4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-2-methoxybenzoate
CID 19227052
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate
CID 19241249

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate?
The IUPAC name of ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate (CID 19226453) is ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate.
What is the SMILES notation for ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate?
The canonical SMILES for ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate is CCOC(=O)c1cc(Cl)c(NC(=O)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate?
The InChIKey is VGQUHFHXBFPXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-3-24-17(22)12-8-13(19)14(9-15(12)23-2)20-16(21)10-5-4-6-11(18)7-10/h4-9H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate?
ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate has a molecular weight of 368.22 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate is sourced from PubChem (CID 19226453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).