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

C17H15ClFNO4 — CID 19229022

IUPACethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C17H15ClFNO4/c1-3-24-17(22)12-8-13(18)14(9-15(12)23-2)20-16(21)10-5-4-6-11(19)7-10/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyLRYMLFWGXDGSKG-UHFFFAOYSA-N
MW351.76 g/mol
LogP3.92
Rot. Bonds5

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

ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate (PubChem CID 19229022) has the molecular formula C17H15ClFNO4 and a molecular weight of 351.76 g/mol. Its IUPAC name is ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate.

Molecular Properties

Compound Nameethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate
PubChem CID19229022
Molecular FormulaC17H15ClFNO4
Molecular Weight351.76 g/mol
Exact Mass351.07
IUPAC Nameethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C17H15ClFNO4/c1-3-24-17(22)12-8-13(18)14(9-15(12)23-2)20-16(21)10-5-4-6-11(19)7-10/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyLRYMLFWGXDGSKG-UHFFFAOYSA-N
XLogP3.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate
CID 19226453
ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
CID 19226546
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate
CID 19227636
ethyl 5-chloro-4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-2-methoxybenzoate
CID 19229234
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
(2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate
CID 163338539
ethyl 5-(4,4-dimethylpentan-2-yl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylate
CID 46094911
ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19228034

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate?
The IUPAC name of ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate (CID 19229022) is ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate.
What is the SMILES notation for ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate?
The canonical SMILES for ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate is CCOC(=O)c1cc(Cl)c(NC(=O)c2cccc(F)c2)cc1OC.
What is the InChIKey of ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate?
The InChIKey is LRYMLFWGXDGSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO4/c1-3-24-17(22)12-8-13(18)14(9-15(12)23-2)20-16(21)10-5-4-6-11(19)7-10/h4-9H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate?
ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate has a molecular weight of 351.76 g/mol, XLogP of 3.92, 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-fluorobenzoyl)amino]-2-methoxybenzoate is sourced from PubChem (CID 19229022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).