methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate

C16H13Cl2NO3 — CID 35727693

IUPACmethyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO3/c1-22-16(21)11-4-2-3-5-14(11)19-15(20)9-10-6-7-12(17)13(18)8-10/h2-8H,9H2,1H3,(H,19,20)
InChIKeyCUFARRCRUBKAAS-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.96
Rot. Bonds4

About methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate

methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate (PubChem CID 35727693) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate
PubChem CID35727693
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Namemethyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO3/c1-22-16(21)11-4-2-3-5-14(11)19-15(20)9-10-6-7-12(17)13(18)8-10/h2-8H,9H2,1H3,(H,19,20)
InChIKeyCUFARRCRUBKAAS-UHFFFAOYSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[2-(3,4-dichlorophenyl)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-[(3,4-dichlorophenyl)methylcarbamoylamino]benzoate
CID 1294805
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
ethyl 2-[3-(3,4-dichlorophenyl)propanoylamino]benzoate
CID 100593471
N-(2-aminophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045267
methyl 2-[[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]amino]benzoate
CID 110772027
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956315
methyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110424083
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate
CID 100583620
methyl 2-[3-(2-chloroanilino)propanoylamino]benzoate
CID 109037899
methyl 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 55434529
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 875754

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate (CID 35727693) is methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate?
The InChIKey is CUFARRCRUBKAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-22-16(21)11-4-2-3-5-14(11)19-15(20)9-10-6-7-12(17)13(18)8-10/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate?
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate has a molecular weight of 338.19 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate is sourced from PubChem (CID 35727693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).