[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate

C17H13Cl2F2NO4 — CID 2612438

IUPAC[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OC(F)F)cc1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2F2NO4/c18-12-4-1-11(14(19)7-12)8-22-15(23)9-25-16(24)10-2-5-13(6-3-10)26-17(20)21/h1-7,17H,8-9H2,(H,22,23)
InChIKeyIQQGPSHNQPFDFL-UHFFFAOYSA-N
MW404.20 g/mol
LogP4.07
Rot. Bonds7

About [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate (PubChem CID 2612438) has the molecular formula C17H13Cl2F2NO4 and a molecular weight of 404.20 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
PubChem CID2612438
Molecular FormulaC17H13Cl2F2NO4
Molecular Weight404.20 g/mol
Exact Mass403.02
IUPAC Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OC(F)F)cc1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2F2NO4/c18-12-4-1-11(14(19)7-12)8-22-15(23)9-25-16(24)10-2-5-13(6-3-10)26-17(20)21/h1-7,17H,8-9H2,(H,22,23)
InChIKeyIQQGPSHNQPFDFL-UHFFFAOYSA-N
XLogP4.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)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-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 7891762
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 2592336
2-(2,4-dichlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 18267777
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2571261
N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 2710388
[2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7569623
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7486908
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614690
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 2417667
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate
CID 2612537
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803716

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate (CID 2612438) is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate is O=C(COC(=O)c1ccc(OC(F)F)cc1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate?
The InChIKey is IQQGPSHNQPFDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F2NO4/c18-12-4-1-11(14(19)7-12)8-22-15(23)9-25-16(24)10-2-5-13(6-3-10)26-17(20)21/h1-7,17H,8-9H2,(H,22,23).
What are the key properties of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate?
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate has a molecular weight of 404.20 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate is sourced from PubChem (CID 2612438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).