1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide

C15H17BrN2O — CID 176892312

IUPAC1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide
SMILESCN(C)C(=O)C1(c2cccc(Br)c2)CC(CC#N)C1
InChIInChI=1S/C15H17BrN2O/c1-18(2)14(19)15(9-11(10-15)6-7-17)12-4-3-5-13(16)8-12/h3-5,8,11H,6,9-10H2,1-2H3
InChIKeyGRFOOAGWPJZCTA-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.10
Rot. Bonds3

About 1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide

1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide (PubChem CID 176892312) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide
PubChem CID176892312
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide
SMILESCN(C)C(=O)C1(c2cccc(Br)c2)CC(CC#N)C1
InChIInChI=1S/C15H17BrN2O/c1-18(2)14(19)15(9-11(10-15)6-7-17)12-4-3-5-13(16)8-12/h3-5,8,11H,6,9-10H2,1-2H3
InChIKeyGRFOOAGWPJZCTA-UHFFFAOYSA-N
XLogP3.10
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-(cyclopropylmethyl)-N-methylcyclopentane-1-carboxamide
CID 87025793
1-[1-(3-bromophenyl)-3-methylcyclobutanecarbonyl]-1-(methylamino)thiourea
CID 171781426
1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 83488510
ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate
CID 66765078
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide
CID 166079994
1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 76831250
1-(3-bromophenyl)-3-hydroxycyclopentane-1-carboxylic acid
CID 115052218
cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 58563114
1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119551309
1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 110887443
1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 31853188

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide (CID 176892312) is 1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide is CN(C)C(=O)C1(c2cccc(Br)c2)CC(CC#N)C1.
What is the InChIKey of 1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide?
The InChIKey is GRFOOAGWPJZCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-18(2)14(19)15(9-11(10-15)6-7-17)12-4-3-5-13(16)8-12/h3-5,8,11H,6,9-10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide?
1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide has a molecular weight of 321.22 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(cyanomethyl)-N,N-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 176892312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).