2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide

C19H19BrN2O2 — CID 109142192

IUPAC2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C19H19BrN2O2/c1-2-22(15-9-4-3-5-10-15)19(24)17-12-16(17)18(23)21-14-8-6-7-13(20)11-14/h3-11,16-17H,2,12H2,1H3,(H,21,23)
InChIKeyIOMZVKRSXRVWRQ-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.08
Rot. Bonds5

About 2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide

2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109142192) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109142192
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C19H19BrN2O2/c1-2-22(15-9-4-3-5-10-15)19(24)17-12-16(17)18(23)21-14-8-6-7-13(20)11-14/h3-11,16-17H,2,12H2,1H3,(H,21,23)
InChIKeyIOMZVKRSXRVWRQ-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-(3-bromophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135850
2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140203
1-N-ethyl-2-N-(2-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141985
2-N-(3,4-dimethylphenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141736
1-N-ethyl-2-N-(2-ethyl-6-methylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142141
2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135103
2-N-(2-chloro-4,6-dimethylphenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142159
1-N-benzyl-2-N-(3-fluorophenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109143982
1-N,1-N-diethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139304
2-N-butan-2-yl-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109131699
1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131116
1-N-benzyl-2-N-(4-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142112

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide (CID 109142192) is 2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide is CCN(C(=O)C1CC1C(=O)Nc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is IOMZVKRSXRVWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-2-22(15-9-4-3-5-10-15)19(24)17-12-16(17)18(23)21-14-8-6-7-13(20)11-14/h3-11,16-17H,2,12H2,1H3,(H,21,23).
What are the key properties of 2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 387.28 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).