N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide

C14H14BrN3O2 — CID 116625442

IUPACN-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
SMILESO=C(Cn1ccn(C2CC2)c1=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H14BrN3O2/c15-10-2-1-3-11(8-10)16-13(19)9-17-6-7-18(14(17)20)12-4-5-12/h1-3,6-8,12H,4-5,9H2,(H,16,19)
InChIKeyMCIZZFVKPVOEQT-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.39
Rot. Bonds4

About N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide

N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide (PubChem CID 116625442) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
PubChem CID116625442
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
SMILESO=C(Cn1ccn(C2CC2)c1=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H14BrN3O2/c15-10-2-1-3-11(8-10)16-13(19)9-17-6-7-18(14(17)20)12-4-5-12/h1-3,6-8,12H,4-5,9H2,(H,16,19)
InChIKeyMCIZZFVKPVOEQT-UHFFFAOYSA-N
XLogP2.39
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
CID 80579705
N-(3-bromophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 115614106
N-(3-bromophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741597
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide
CID 79090031
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
N-(3-bromophenyl)-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 60697679
1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530969
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402731
N-(3-bromophenyl)-2-(4-oxo-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 167998811
N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8871207

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide (CID 116625442) is N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide is O=C(Cn1ccn(C2CC2)c1=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide?
The InChIKey is MCIZZFVKPVOEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-10-2-1-3-11(8-10)16-13(19)9-17-6-7-18(14(17)20)12-4-5-12/h1-3,6-8,12H,4-5,9H2,(H,16,19).
What are the key properties of N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide?
N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide has a molecular weight of 336.19 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide is sourced from PubChem (CID 116625442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).