1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide

C24H21FN2O2 — CID 109143982

IUPAC1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)C1CC1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21FN2O2/c25-18-10-7-11-19(14-18)26-23(28)21-15-22(21)24(29)27(20-12-5-2-6-13-20)16-17-8-3-1-4-9-17/h1-14,21-22H,15-16H2,(H,26,28)
InChIKeyTXXCUFMFMWEMAB-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.63
Rot. Bonds6

About 1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide

1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109143982) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109143982
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)C1CC1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21FN2O2/c25-18-10-7-11-19(14-18)26-23(28)21-15-22(21)24(29)27(20-12-5-2-6-13-20)16-17-8-3-1-4-9-17/h1-14,21-22H,15-16H2,(H,26,28)
InChIKeyTXXCUFMFMWEMAB-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142112
1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141876
1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
1-N-benzyl-2-N-(3-bromophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135850
2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142192
1-N-benzyl-1-N-phenyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137430
2-N-(3-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141073
2-N-cyclopropyl-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109130976
1-N-(3-fluorophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130579
2-N-[2-(dimethylamino)ethyl]-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133778
1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141714
1-N-(3,4-dichlorophenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144008

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide (CID 109143982) is 1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide is O=C(Nc1cccc(F)c1)C1CC1C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is TXXCUFMFMWEMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c25-18-10-7-11-19(14-18)26-23(28)21-15-22(21)24(29)27(20-12-5-2-6-13-20)16-17-8-3-1-4-9-17/h1-14,21-22H,15-16H2,(H,26,28).
What are the key properties of 1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 388.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).