N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide

C14H16BrN3O2 — CID 116624759

IUPACN-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
SMILESCCCn1ccn(CC(=O)Nc2ccccc2Br)c1=O
InChIInChI=1S/C14H16BrN3O2/c1-2-7-17-8-9-18(14(17)20)10-13(19)16-12-6-4-3-5-11(12)15/h3-6,8-9H,2,7,10H2,1H3,(H,16,19)
InChIKeyYQSMDKZHIUWYFQ-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.46
Rot. Bonds5

About N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide

N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide (PubChem CID 116624759) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
PubChem CID116624759
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
SMILESCCCn1ccn(CC(=O)Nc2ccccc2Br)c1=O
InChIInChI=1S/C14H16BrN3O2/c1-2-7-17-8-9-18(14(17)20)10-13(19)16-12-6-4-3-5-11(12)15/h3-6,8-9H,2,7,10H2,1H3,(H,16,19)
InChIKeyYQSMDKZHIUWYFQ-UHFFFAOYSA-N
XLogP2.46
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624762
N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402352
N-(2-bromophenyl)butanamide
CID 732405
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115885261
N-(2-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62223923
2-(3-bromo-2-oxo-1-pyridinyl)-N-(2-methylphenyl)acetamide
CID 114760909
2-[3-[2-(2-bromoanilino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidin-1-yl]-N-(2-bromophenyl)acetamide
CID 5064288
N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide
CID 62221758
N-(4-bromophenyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624275
1-[2-(4-bromophenyl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80581332
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide (CID 116624759) is N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide is CCCn1ccn(CC(=O)Nc2ccccc2Br)c1=O.
What is the InChIKey of N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide?
The InChIKey is YQSMDKZHIUWYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-2-7-17-8-9-18(14(17)20)10-13(19)16-12-6-4-3-5-11(12)15/h3-6,8-9H,2,7,10H2,1H3,(H,16,19).
What are the key properties of N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide?
N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide has a molecular weight of 338.21 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide is sourced from PubChem (CID 116624759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).