ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate

C18H18ClNO4 — CID 19226546

IUPACethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H18ClNO4/c1-4-24-18(22)13-9-14(19)15(10-16(13)23-3)20-17(21)12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyASWQGWFHXPYZSR-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.09
Rot. Bonds5

About ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate

ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate (PubChem CID 19226546) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
PubChem CID19226546
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Nameethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1cc(Cl)c(NC(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H18ClNO4/c1-4-24-18(22)13-9-14(19)15(10-16(13)23-3)20-17(21)12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyASWQGWFHXPYZSR-UHFFFAOYSA-N
XLogP4.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.09
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-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate
CID 19229022
ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate
CID 70104558
ethyl 5-chloro-4-[2-(2,5-dimethylphenoxy)propanoylamino]-2-methoxybenzoate
CID 53266963
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
ethyl 4-[3-(4-tert-butylphenyl)propanoylamino]-5-chloro-2-methoxybenzoate
CID 19229359
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
ethyl 5-chloro-4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-2-methoxybenzoate
CID 19227052
ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate
CID 19227636
ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate
CID 19241249
5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 45429945
ethyl 5-chloro-4-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-2-methoxybenzoate
CID 19228297

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate (CID 19226546) is ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate is CCOC(=O)c1cc(Cl)c(NC(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate?
The InChIKey is ASWQGWFHXPYZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-4-24-18(22)13-9-14(19)15(10-16(13)23-3)20-17(21)12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3,(H,20,21).
What are the key properties of ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate?
ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate has a molecular weight of 347.80 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 19226546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).