N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide

C13H16BrFN2O — CID 115182970

IUPACN-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)N(C)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C13H16BrFN2O/c1-16-8-13(5-6-13)12(18)17(2)11-7-9(14)3-4-10(11)15/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyLOGLRJWWETXWQB-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.55
Rot. Bonds4

About N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide

N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide (PubChem CID 115182970) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
PubChem CID115182970
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC NameN-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)N(C)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C13H16BrFN2O/c1-16-8-13(5-6-13)12(18)17(2)11-7-9(14)3-4-10(11)15/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyLOGLRJWWETXWQB-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183075
N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182941
1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242863
N-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115191064
N-(5-bromo-2-fluorophenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188821
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182600
N-(2,5-dimethylphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183661
N-methyl-1-(methylaminomethyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 115182934
N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide
CID 115157831
N-[(2-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183079
N-(5-chlorothiophen-2-yl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182952
3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide
CID 115154940

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide (CID 115182970) is N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide is CNCC1(C(=O)N(C)c2cc(Br)ccc2F)CC1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The InChIKey is LOGLRJWWETXWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-16-8-13(5-6-13)12(18)17(2)11-7-9(14)3-4-10(11)15/h3-4,7,16H,5-6,8H2,1-2H3.
What are the key properties of N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide?
N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide has a molecular weight of 315.19 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).