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

C17H13F3N2O2 — CID 108980631

IUPAC1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccccc1)C1(C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C17H13F3N2O2/c18-11-6-7-12(14(20)13(11)19)22-16(24)17(8-9-17)15(23)21-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,21,23)(H,22,24)
InChIKeyMERBAVOKVKTGRR-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.46
Rot. Bonds4

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

1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108980631) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108980631
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccccc1)C1(C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C17H13F3N2O2/c18-11-6-7-12(14(20)13(11)19)22-16(24)17(8-9-17)15(23)21-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,21,23)(H,22,24)
InChIKeyMERBAVOKVKTGRR-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.46
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-phenyl-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-(2,4-dimethylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108981295
1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108979741
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980627
4-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108867200
1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980761
N-phenyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109033887
1-[(2,3-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095401

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108980631) is 1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide is O=C(Nc1ccccc1)C1(C(=O)Nc2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is MERBAVOKVKTGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-11-6-7-12(14(20)13(11)19)22-16(24)17(8-9-17)15(23)21-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,21,23)(H,22,24).
What are the key properties of 1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 334.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).