N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide

C12H14BrNO2 — CID 115182178

IUPACN-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(CO)CC1)c1cccc(Br)c1
InChIInChI=1S/C12H14BrNO2/c1-14(10-4-2-3-9(13)7-10)11(16)12(8-15)5-6-12/h2-4,7,15H,5-6,8H2,1H3
InChIKeyBZJJGQUCESDWMC-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.18
Rot. Bonds3

About N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide

N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 115182178) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
PubChem CID115182178
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC NameN-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(CO)CC1)c1cccc(Br)c1
InChIInChI=1S/C12H14BrNO2/c1-14(10-4-2-3-9(13)7-10)11(16)12(8-15)5-6-12/h2-4,7,15H,5-6,8H2,1H3
InChIKeyBZJJGQUCESDWMC-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183289
N-(3-bromophenyl)-N-methylcarbamoyl bromide
CID 115193496
N-(3-bromophenyl)-N,2,2-trimethylpropanamide
CID 172560742
N-(3-bromophenyl)-N-methylprop-2-ynamide
CID 130659155
4-(3-bromo-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165040
4-(3-bromo-N-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 115165263
N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide
CID 115140581
3-[(3-bromophenyl)-methylcarbamoyl]benzoic acid
CID 115165495
N-(3-methoxyphenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182981
N-(4-bromophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182941
N-(3-bromophenyl)-N-hydroxyacetamide
CID 3015973
N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183989

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide (CID 115182178) is N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide is CN(C(=O)C1(CO)CC1)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is BZJJGQUCESDWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-14(10-4-2-3-9(13)7-10)11(16)12(8-15)5-6-12/h2-4,7,15H,5-6,8H2,1H3.
What are the key properties of N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide?
N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115182178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).