methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate

C19H20ClNO4 — CID 9349582

IUPACmethyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1C
InChIInChI=1S/C19H20ClNO4/c1-11-8-14(9-12(2)18(11)20)25-10-17(22)21-16-7-5-6-15(13(16)3)19(23)24-4/h5-9H,10H2,1-4H3,(H,21,22)
InChIKeyAINURJNTUULNGA-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.07
Rot. Bonds5

About methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate

methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate (PubChem CID 9349582) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate
PubChem CID9349582
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Namemethyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1C
InChIInChI=1S/C19H20ClNO4/c1-11-8-14(9-12(2)18(11)20)25-10-17(22)21-16-7-5-6-15(13(16)3)19(23)24-4/h5-9H,10H2,1-4H3,(H,21,22)
InChIKeyAINURJNTUULNGA-UHFFFAOYSA-N
XLogP4.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate with MolForge

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Related Compounds

methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate
CID 2208364
methyl 3-[[2-(4-iodophenoxy)acetyl]amino]-2-methylbenzoate
CID 1301700
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798
methyl 3-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-2-methylbenzoate
CID 21367909
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide
CID 1329877
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 934072
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-2-methylbenzoic acid
CID 40910613
2-(3,5-dimethoxyphenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 99598387
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 112979011
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
methyl 3-(3-chloropropanoylamino)-2-methylbenzoate
CID 43699221
methyl 2-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]benzoate
CID 108877937

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate (CID 9349582) is methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate is COC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1C.
What is the InChIKey of methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate?
The InChIKey is AINURJNTUULNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-11-8-14(9-12(2)18(11)20)25-10-17(22)21-16-7-5-6-15(13(16)3)19(23)24-4/h5-9H,10H2,1-4H3,(H,21,22).
What are the key properties of methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate?
methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate has a molecular weight of 361.83 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate is sourced from PubChem (CID 9349582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).