1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide

C19H17F2N3O3 — CID 108983475

IUPAC1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(C(=O)Nc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C19H17F2N3O3/c1-11(25)22-12-3-2-4-13(9-12)23-17(26)19(7-8-19)18(27)24-14-5-6-15(20)16(21)10-14/h2-6,9-10H,7-8H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyZVKWJHIRRFKZMT-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.28
Rot. Bonds5

About 1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983475) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is 1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983475
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(C(=O)Nc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C19H17F2N3O3/c1-11(25)22-12-3-2-4-13(9-12)23-17(26)19(7-8-19)18(27)24-14-5-6-15(20)16(21)10-14/h2-6,9-10H,7-8H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyZVKWJHIRRFKZMT-UHFFFAOYSA-N
XLogP3.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide 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

1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981761
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982777
1-N'-(3,4-difluorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983187
methyl 1-[(3,4-difluorophenyl)carbamoyl]cyclobutane-1-carboxylate
CID 115184233
1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975773
1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972266
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
1-N-(3-acetamidophenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975451
1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979810
1-N'-(3,4-difluorophenyl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973898
1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982541

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108983475) is 1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide is CC(=O)Nc1cccc(NC(=O)C2(C(=O)Nc3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of 1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is ZVKWJHIRRFKZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-11(25)22-12-3-2-4-13(9-12)23-17(26)19(7-8-19)18(27)24-14-5-6-15(20)16(21)10-14/h2-6,9-10H,7-8H2,1H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 373.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).