N-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide

C13H16BrNO — CID 175947885

IUPACN-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide
SMILES[2H]CC(c1ccc(Br)cc1)N(C)C(=O)C1CC1
InChIInChI=1S/C13H16BrNO/c1-9(10-5-7-12(14)8-6-10)15(2)13(16)11-3-4-11/h5-9,11H,3-4H2,1-2H3/i1D
InChIKeyBMNMKWSUHRHPFF-MICDWDOJSA-N
MW283.19 g/mol
LogP3.38
Rot. Bonds4

About N-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide

N-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide (PubChem CID 175947885) has the molecular formula C13H16BrNO and a molecular weight of 283.19 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide
PubChem CID175947885
Molecular FormulaC13H16BrNO
Molecular Weight283.19 g/mol
Exact Mass282.05
IUPAC NameN-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide
SMILES[2H]CC(c1ccc(Br)cc1)N(C)C(=O)C1CC1
InChIInChI=1S/C13H16BrNO/c1-9(10-5-7-12(14)8-6-10)15(2)13(16)11-3-4-11/h5-9,11H,3-4H2,1-2H3/i1D
InChIKeyBMNMKWSUHRHPFF-MICDWDOJSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 163259808
N-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-methylthian-1-ium-4-carboxamide
CID 176658829
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
CID 60939297
N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-1-imino-N-methyl-1-oxothiane-4-carboxamide
CID 169088297
N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119275393
N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide
CID 34737269
N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]cyclopentanecarboxamide
CID 34737287
3-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-methylcarbamoyl]piperidine-1-carboxylic acid
CID 170551189
N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 163260581
N-[1-(4-hydroxyphenyl)ethyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 54913063
N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide
CID 166191857
3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119818177

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide (CID 175947885) is N-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide is [2H]CC(c1ccc(Br)cc1)N(C)C(=O)C1CC1.
What is the InChIKey of N-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide?
The InChIKey is BMNMKWSUHRHPFF-MICDWDOJSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-9(10-5-7-12(14)8-6-10)15(2)13(16)11-3-4-11/h5-9,11H,3-4H2,1-2H3/i1D.
What are the key properties of N-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide?
N-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide has a molecular weight of 283.19 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2-deuterioethyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 175947885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).