N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide

C16H18BrN3O — CID 138034170

IUPACN-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide
SMILESO=C(Cc1ncc[nH]1)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C16H18BrN3O/c17-13-4-1-3-12(9-13)16(5-2-6-16)11-20-15(21)10-14-18-7-8-19-14/h1,3-4,7-9H,2,5-6,10-11H2,(H,18,19)(H,20,21)
InChIKeyPOKQXNZGEUDZSF-UHFFFAOYSA-N
MW348.24 g/mol
LogP2.95
Rot. Bonds5

About N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide

N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide (PubChem CID 138034170) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide
PubChem CID138034170
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide
SMILESO=C(Cc1ncc[nH]1)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C16H18BrN3O/c17-13-4-1-3-12(9-13)16(5-2-6-16)11-20-15(21)10-14-18-7-8-19-14/h1,3-4,7-9H,2,5-6,10-11H2,(H,18,19)(H,20,21)
InChIKeyPOKQXNZGEUDZSF-UHFFFAOYSA-N
XLogP2.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 71883611
2-(4-aminophenyl)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119744805
5-[[1-(3-bromophenyl)cyclobutyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685220
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(cyclopropylmethylamino)acetamide
CID 119744818
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744834
N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 55975233
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 71888332
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 55973948
3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide
CID 119744824
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119744821
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103
4-acetyl-N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 52721045

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide?
The IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide (CID 138034170) is N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide is O=C(Cc1ncc[nH]1)NCC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide?
The InChIKey is POKQXNZGEUDZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c17-13-4-1-3-12(9-13)16(5-2-6-16)11-20-15(21)10-14-18-7-8-19-14/h1,3-4,7-9H,2,5-6,10-11H2,(H,18,19)(H,20,21).
What are the key properties of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide?
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide has a molecular weight of 348.24 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 138034170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).