1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide

C16H19F3N2O2 — CID 108979741

IUPAC1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CCNC(=O)C1(C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C16H19F3N2O2/c1-9(2)5-8-20-14(22)16(6-7-16)15(23)21-11-4-3-10(17)12(18)13(11)19/h3-4,9H,5-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUVKKHEASCCICJQ-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.98
Rot. Bonds6

About 1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide

1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108979741) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108979741
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CCNC(=O)C1(C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C16H19F3N2O2/c1-9(2)5-8-20-14(22)16(6-7-16)15(23)21-11-4-3-10(17)12(18)13(11)19/h3-4,9H,5-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUVKKHEASCCICJQ-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)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-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982076
1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979652
1-N-(3-methylbutyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979657
1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108980631
1-N-(2,4-dimethylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108981295
1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979647
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979654
1-N'-[4-(dimethylamino)phenyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979700
1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970362
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 110978271
1-(3-hydroxy-4-methylpentyl)-3-(2,3,4-trifluorophenyl)urea
CID 111472896
1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096934

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108979741) is 1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide is CC(C)CCNC(=O)C1(C(=O)Nc2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is UVKKHEASCCICJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-9(2)5-8-20-14(22)16(6-7-16)15(23)21-11-4-3-10(17)12(18)13(11)19/h3-4,9H,5-8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 328.33 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).