methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate

C17H16ClNO4 — CID 38236114

IUPACmethyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)COc2cccc(C)c2)ccc1Cl
InChIInChI=1S/C17H16ClNO4/c1-11-4-3-5-13(8-11)23-10-16(20)19-12-6-7-15(18)14(9-12)17(21)22-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyRTQKXXFLSGMFBV-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.45
Rot. Bonds5

About methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate

methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate (PubChem CID 38236114) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate
PubChem CID38236114
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Namemethyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)COc2cccc(C)c2)ccc1Cl
InChIInChI=1S/C17H16ClNO4/c1-11-4-3-5-13(8-11)23-10-16(20)19-12-6-7-15(18)14(9-12)17(21)22-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyRTQKXXFLSGMFBV-UHFFFAOYSA-N
XLogP3.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-chloro-5-[[2-(3-methylphenoxy)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

methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 94600273
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
N-(2-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4199115
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 16783753
N-(4-bromo-3-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154742
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
methyl 2-chloro-5-(4-chlorobutanoylamino)benzoate
CID 55204060
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 94783611

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate (CID 38236114) is methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate is COC(=O)c1cc(NC(=O)COc2cccc(C)c2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate?
The InChIKey is RTQKXXFLSGMFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-11-4-3-5-13(8-11)23-10-16(20)19-12-6-7-15(18)14(9-12)17(21)22-2/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate?
methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate has a molecular weight of 333.77 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 38236114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).