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

C21H24ClNO5 — CID 1183490

IUPACmethyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)c(NC(=O)COc2cc(C)ccc2C(C)C)cc1OC
InChIInChI=1S/C21H24ClNO5/c1-12(2)14-7-6-13(3)8-19(14)28-11-20(24)23-17-10-18(26-4)15(9-16(17)22)21(25)27-5/h6-10,12H,11H2,1-5H3,(H,23,24)
InChIKeyWKZCFFBAHQEMRT-UHFFFAOYSA-N
MW405.88 g/mol
LogP4.58
Rot. Bonds7

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

methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate (PubChem CID 1183490) has the molecular formula C21H24ClNO5 and a molecular weight of 405.88 g/mol. Its IUPAC name is methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
PubChem CID1183490
Molecular FormulaC21H24ClNO5
Molecular Weight405.88 g/mol
Exact Mass405.13
IUPAC Namemethyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)c(NC(=O)COc2cc(C)ccc2C(C)C)cc1OC
InChIInChI=1S/C21H24ClNO5/c1-12(2)14-7-6-13(3)8-19(14)28-11-20(24)23-17-10-18(26-4)15(9-16(17)22)21(25)27-5/h6-10,12H,11H2,1-5H3,(H,23,24)
InChIKeyWKZCFFBAHQEMRT-UHFFFAOYSA-N
XLogP4.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1020008
ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19228034
methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19170715
methyl 2-hydroxy-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 56577461
N-(2-amino-4-chlorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 91689013
N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7948552
2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 4863455
N-(3,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26218545
2-(2-chloro-5-methylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7642804
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 4787643
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 959796

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate (CID 1183490) is methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate is COC(=O)c1cc(Cl)c(NC(=O)COc2cc(C)ccc2C(C)C)cc1OC.
What is the InChIKey of methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate?
The InChIKey is WKZCFFBAHQEMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO5/c1-12(2)14-7-6-13(3)8-19(14)28-11-20(24)23-17-10-18(26-4)15(9-16(17)22)21(25)27-5/h6-10,12H,11H2,1-5H3,(H,23,24).
What are the key properties of methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate?
methyl 5-chloro-2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate has a molecular weight of 405.88 g/mol, XLogP of 4.58, 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-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 1183490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).