2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide

C18H17BrN2O2 — CID 109135103

IUPAC2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CC1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H17BrN2O2/c19-13-7-4-8-14(9-13)21-18(23)16-10-15(16)17(22)20-11-12-5-2-1-3-6-12/h1-9,15-16H,10-11H2,(H,20,22)(H,21,23)
InChIKeyKJJBSAZFXQGTEL-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.34
Rot. Bonds5

About 2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide

2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109135103) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109135103
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CC1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H17BrN2O2/c19-13-7-4-8-14(9-13)21-18(23)16-10-15(16)17(22)20-11-12-5-2-1-3-6-12/h1-9,15-16H,10-11H2,(H,20,22)(H,21,23)
InChIKeyKJJBSAZFXQGTEL-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-benzyl-1-N-(4-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135067
1-N-benzyl-2-N-(3-bromophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135850
1-N-(3-acetamidophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135544
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134103
1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133234
1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136122
2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142192
2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144039
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136562
1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109144038
2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109135109

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide (CID 109135103) is 2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide is O=C(NCc1ccccc1)C1CC1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is KJJBSAZFXQGTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-13-7-4-8-14(9-13)21-18(23)16-10-15(16)17(22)20-11-12-5-2-1-3-6-12/h1-9,15-16H,10-11H2,(H,20,22)(H,21,23).
What are the key properties of 2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide?
2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 373.25 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).