N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide

C13H17BrN2O — CID 115182941

IUPACN-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)N(C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17BrN2O/c1-15-9-13(7-8-13)12(17)16(2)11-5-3-10(14)4-6-11/h3-6,15H,7-9H2,1-2H3
InChIKeyMXXXIHKKIGKGKR-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.41
Rot. Bonds4

About N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide

N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide (PubChem CID 115182941) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
PubChem CID115182941
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)N(C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17BrN2O/c1-15-9-13(7-8-13)12(17)16(2)11-5-3-10(14)4-6-11/h3-6,15H,7-9H2,1-2H3
InChIKeyMXXXIHKKIGKGKR-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(methylaminomethyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 115182934
N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182970
N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182949
N-(3-methoxyphenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182981
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183075
N-(5-chlorothiophen-2-yl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182952
N-(3-methoxyphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183686
1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182580
N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182178
N-methyl-1-(methylaminomethyl)-N-(3-methylthiophen-2-yl)cyclobutane-1-carboxamide
CID 115183696
N-(2,5-dimethylphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183661
4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol
CID 117039436

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide (CID 115182941) is N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide is CNCC1(C(=O)N(C)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The InChIKey is MXXXIHKKIGKGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-15-9-13(7-8-13)12(17)16(2)11-5-3-10(14)4-6-11/h3-6,15H,7-9H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide?
N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).