methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate

C17H15Cl2NO4 — CID 2208364

IUPACmethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C17H15Cl2NO4/c1-10-12(17(22)23-2)4-3-5-14(10)20-16(21)9-24-15-7-6-11(18)8-13(15)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyPMBTWPLAHAWSEC-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.11
Rot. Bonds5

About methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate

methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate (PubChem CID 2208364) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate
PubChem CID2208364
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Namemethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C17H15Cl2NO4/c1-10-12(17(22)23-2)4-3-5-14(10)20-16(21)9-24-15-7-6-11(18)8-13(15)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyPMBTWPLAHAWSEC-UHFFFAOYSA-N
XLogP4.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[2-(2,4-dichlorophenoxy)phenoxy]acetyl]amino]benzoate
CID 57406612
methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-2-methylbenzoate
CID 9349582
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761205
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3516306
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
3-[3-(2,4-dichlorophenoxy)propanoylamino]-2-methylbenzamide
CID 87036675
N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300862
methyl 3-chloro-4-[2-(2,5-dichloroanilino)-2-oxoethoxy]benzoate
CID 55321046
2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 2827268
2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
CID 166178801

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate (CID 2208364) is methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate is COC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate?
The InChIKey is PMBTWPLAHAWSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-10-12(17(22)23-2)4-3-5-14(10)20-16(21)9-24-15-7-6-11(18)8-13(15)19/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate?
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate has a molecular weight of 368.22 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate is sourced from PubChem (CID 2208364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).