methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate

C20H22ClNO5 — CID 19170715

IUPACmethyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)c(NC(=O)COc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C20H22ClNO5/c1-12(2)13-5-7-14(8-6-13)27-11-19(23)22-17-10-18(25-3)15(9-16(17)21)20(24)26-4/h5-10,12H,11H2,1-4H3,(H,22,23)
InChIKeyJNXVUXIAJCJKMC-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.28
Rot. Bonds7

About methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate

methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate (PubChem CID 19170715) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
PubChem CID19170715
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC Namemethyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)c(NC(=O)COc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C20H22ClNO5/c1-12(2)13-5-7-14(8-6-13)27-11-19(23)22-17-10-18(25-3)15(9-16(17)21)20(24)26-4/h5-10,12H,11H2,1-4H3,(H,22,23)
InChIKeyJNXVUXIAJCJKMC-UHFFFAOYSA-N
XLogP4.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 1183490
ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate
CID 19227636
N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 50881877
methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19168722
N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19228034
methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 8801664
ethyl 3-chloro-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 99949279
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590
2-(2-bromo-4-propan-2-ylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 19201682

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate (CID 19170715) is methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate is COC(=O)c1cc(Cl)c(NC(=O)COc2ccc(C(C)C)cc2)cc1OC.
What is the InChIKey of methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The InChIKey is JNXVUXIAJCJKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c1-12(2)13-5-7-14(8-6-13)27-11-19(23)22-17-10-18(25-3)15(9-16(17)21)20(24)26-4/h5-10,12H,11H2,1-4H3,(H,22,23).
What are the key properties of methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate has a molecular weight of 391.85 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 19170715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).