1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide

C20H21FN2O3 — CID 108977684

IUPAC1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2(C(=O)Nc3ccccc3F)CC2)c1
InChIInChI=1S/C20H21FN2O3/c1-26-15-6-4-5-14(13-15)9-12-22-18(24)20(10-11-20)19(25)23-17-8-3-2-7-16(17)21/h2-8,13H,9-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyBKFBPRGBPKZGLW-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.91
Rot. Bonds7

About 1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide

1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108977684) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
PubChem CID108977684
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2(C(=O)Nc3ccccc3F)CC2)c1
InChIInChI=1S/C20H21FN2O3/c1-26-15-6-4-5-14(13-15)9-12-22-18(24)20(10-11-20)19(25)23-17-8-3-2-7-16(17)21/h2-8,13H,9-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyBKFBPRGBPKZGLW-UHFFFAOYSA-N
XLogP2.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]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'-(2-methoxyphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977694
1-N'-(2,6-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977671
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
1-N-[2-(3-methoxyphenyl)ethyl]-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977662
1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977669
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108977400
1-N'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977692
1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977756
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide (CID 108977684) is 1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide is COc1cccc(CCNC(=O)C2(C(=O)Nc3ccccc3F)CC2)c1.
What is the InChIKey of 1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is BKFBPRGBPKZGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-26-15-6-4-5-14(13-15)9-12-22-18(24)20(10-11-20)19(25)23-17-8-3-2-7-16(17)21/h2-8,13H,9-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).