methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate

C17H15ClF2N2O4 — CID 9103322

IUPACmethyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C17H15ClF2N2O4/c1-25-16(24)11-4-2-3-5-13(11)22-15(23)9-21-10-6-7-14(12(18)8-10)26-17(19)20/h2-8,17,21H,9H2,1H3,(H,22,23)
InChIKeyYPRKSQQZPWQJTD-UHFFFAOYSA-N
MW384.77 g/mol
LogP3.78
Rot. Bonds7

About methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate

methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate (PubChem CID 9103322) has the molecular formula C17H15ClF2N2O4 and a molecular weight of 384.77 g/mol. Its IUPAC name is methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate
PubChem CID9103322
Molecular FormulaC17H15ClF2N2O4
Molecular Weight384.77 g/mol
Exact Mass384.07
IUPAC Namemethyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C17H15ClF2N2O4/c1-25-16(24)11-4-2-3-5-13(11)22-15(23)9-21-10-6-7-14(12(18)8-10)26-17(19)20/h2-8,17,21H,9H2,1H3,(H,22,23)
InChIKeyYPRKSQQZPWQJTD-UHFFFAOYSA-N
XLogP3.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]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

2-[3-chloro-4-(difluoromethoxy)anilino]-N-(2-fluorophenyl)acetamide
CID 9103338
methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate
CID 9101546
N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
CID 31418500
2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide
CID 9103360
methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37230186
methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfamoyl]benzoate
CID 2445690
methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate
CID 34075412
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471922
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
CID 25332759
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
2-[3-chloro-4-(difluoromethoxy)anilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 26526071
2-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9102880

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate (CID 9103322) is methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CNc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate?
The InChIKey is YPRKSQQZPWQJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O4/c1-25-16(24)11-4-2-3-5-13(11)22-15(23)9-21-10-6-7-14(12(18)8-10)26-17(19)20/h2-8,17,21H,9H2,1H3,(H,22,23).
What are the key properties of methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate?
methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate has a molecular weight of 384.77 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3-chloro-4-(difluoromethoxy)anilino]acetyl]amino]benzoate is sourced from PubChem (CID 9103322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).