2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide

C16H21BrN2O2 — CID 109140203

IUPAC2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H21BrN2O2/c1-3-4-8-19(2)16(21)14-10-13(14)15(20)18-12-7-5-6-11(17)9-12/h5-7,9,13-14H,3-4,8,10H2,1-2H3,(H,18,20)
InChIKeyYHUOCKBOSCICNK-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.28
Rot. Bonds6

About 2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide

2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide (PubChem CID 109140203) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
PubChem CID109140203
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H21BrN2O2/c1-3-4-8-19(2)16(21)14-10-13(14)15(20)18-12-7-5-6-11(17)9-12/h5-7,9,13-14H,3-4,8,10H2,1-2H3,(H,18,20)
InChIKeyYHUOCKBOSCICNK-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140206
1-N-benzyl-2-N-(3-bromophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135850
2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140207
1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134103
2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142192
1-N-butyl-1-N-methyl-2-N-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109140200
1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133234
2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide
CID 109099598
1-N,1-N-diethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139304
2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144039
1-N-butyl-1-N-methyl-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109140214
2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135103

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide (CID 109140203) is 2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide is CCCCN(C)C(=O)C1CC1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide?
The InChIKey is YHUOCKBOSCICNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-3-4-8-19(2)16(21)14-10-13(14)15(20)18-12-7-5-6-11(17)9-12/h5-7,9,13-14H,3-4,8,10H2,1-2H3,(H,18,20).
What are the key properties of 2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide?
2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide has a molecular weight of 353.26 g/mol, XLogP of 3.28, 6 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-butyl-1-N-methylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109140203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).