N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide

C21H19F5N2O3 — CID 126710768

IUPACN-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide
SMILESCN(CCc1ccc(F)c(F)c1)C(=O)CC(=O)N(C=O)CC(F)c1ccc(F)c(F)c1
InChIInChI=1S/C21H19F5N2O3/c1-27(7-6-13-2-4-15(22)17(24)8-13)20(30)10-21(31)28(12-29)11-19(26)14-3-5-16(23)18(25)9-14/h2-5,8-9,12,19H,6-7,10-11H2,1H3
InChIKeyGDUXYBLLOVAVSR-UHFFFAOYSA-N
MW442.38 g/mol
LogP3.33
Rot. Bonds9

About N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide

N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide (PubChem CID 126710768) has the molecular formula C21H19F5N2O3 and a molecular weight of 442.38 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide
PubChem CID126710768
Molecular FormulaC21H19F5N2O3
Molecular Weight442.38 g/mol
Exact Mass442.13
IUPAC NameN-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide
SMILESCN(CCc1ccc(F)c(F)c1)C(=O)CC(=O)N(C=O)CC(F)c1ccc(F)c(F)c1
InChIInChI=1S/C21H19F5N2O3/c1-27(7-6-13-2-4-15(22)17(24)8-13)20(30)10-21(31)28(12-29)11-19(26)14-3-5-16(23)18(25)9-14/h2-5,8-9,12,19H,6-7,10-11H2,1H3
InChIKeyGDUXYBLLOVAVSR-UHFFFAOYSA-N
XLogP3.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide 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

N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide
CID 115176980
N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 115190351
3-[(3,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231927
2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
CID 115162206
methyl 3-[2-(3,4-difluorophenyl)ethyl-methylamino]propanoate
CID 115232572
3-[2-(4-fluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 115163578
N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
CID 119659377
methyl 2-[3-(3,4-difluorophenyl)propanoyl-methylamino]acetate
CID 43431151
3-[2-(3,4-difluorophenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122011279
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158336
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158335
N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197450

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide (CID 126710768) is N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide is CN(CCc1ccc(F)c(F)c1)C(=O)CC(=O)N(C=O)CC(F)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide?
The InChIKey is GDUXYBLLOVAVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5N2O3/c1-27(7-6-13-2-4-15(22)17(24)8-13)20(30)10-21(31)28(12-29)11-19(26)14-3-5-16(23)18(25)9-14/h2-5,8-9,12,19H,6-7,10-11H2,1H3.
What are the key properties of N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide?
N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide has a molecular weight of 442.38 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)ethyl]-N'-[2-(3,4-difluorophenyl)-2-fluoroethyl]-N'-formyl-N-methylpropanediamide is sourced from PubChem (CID 126710768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).