3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide

C18H16BrN3O2 — CID 121198786

IUPAC3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide
SMILESO=C(CCc1ccc(Br)cc1)NCc1nccnc1-c1ccco1
InChIInChI=1S/C18H16BrN3O2/c19-14-6-3-13(4-7-14)5-8-17(23)22-12-15-18(21-10-9-20-15)16-2-1-11-24-16/h1-4,6-7,9-11H,5,8,12H2,(H,22,23)
InChIKeyYJOZJUYGRYYTBM-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.75
Rot. Bonds6

About 3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide

3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide (PubChem CID 121198786) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide
PubChem CID121198786
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide
SMILESO=C(CCc1ccc(Br)cc1)NCc1nccnc1-c1ccco1
InChIInChI=1S/C18H16BrN3O2/c19-14-6-3-13(4-7-14)5-8-17(23)22-12-15-18(21-10-9-20-15)16-2-1-11-24-16/h1-4,6-7,9-11H,5,8,12H2,(H,22,23)
InChIKeyYJOZJUYGRYYTBM-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide
CID 121198828
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pentanamide
CID 121198710
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121198894
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-pyrrol-1-ylacetamide
CID 121198831
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 119105871
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 121198819
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 121023123
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
CID 121199008
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]naphthalene-1-carboxamide
CID 121198866
2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide
CID 121198813
1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea
CID 121199004
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]oxane-4-carboxamide
CID 121198919

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide?
The IUPAC name of 3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide (CID 121198786) is 3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide is O=C(CCc1ccc(Br)cc1)NCc1nccnc1-c1ccco1.
What is the InChIKey of 3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide?
The InChIKey is YJOZJUYGRYYTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c19-14-6-3-13(4-7-14)5-8-17(23)22-12-15-18(21-10-9-20-15)16-2-1-11-24-16/h1-4,6-7,9-11H,5,8,12H2,(H,22,23).
What are the key properties of 3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide?
3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide has a molecular weight of 386.25 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide is sourced from PubChem (CID 121198786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).