N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide

C15H18BrN3O — CID 66402731

IUPACN-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCNCc1cccn1CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H18BrN3O/c1-2-17-10-14-7-4-8-19(14)11-15(20)18-13-6-3-5-12(16)9-13/h3-9,17H,2,10-11H2,1H3,(H,18,20)
InChIKeyLNVWEYMHSKHECR-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.00
Rot. Bonds6

About N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide

N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide (PubChem CID 66402731) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
PubChem CID66402731
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCNCc1cccn1CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H18BrN3O/c1-2-17-10-14-7-4-8-19(14)11-15(20)18-13-6-3-5-12(16)9-13/h3-9,17H,2,10-11H2,1H3,(H,18,20)
InChIKeyLNVWEYMHSKHECR-UHFFFAOYSA-N
XLogP3.00
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66400972
N-(4-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402546
N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402352
N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62221444
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
N-(3-bromophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 115614106
N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66401169
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920
N-(3-bromophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708881
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341
1-(3-bromophenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951485

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide (CID 66402731) is N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide is CCNCc1cccn1CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The InChIKey is LNVWEYMHSKHECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-2-17-10-14-7-4-8-19(14)11-15(20)18-13-6-3-5-12(16)9-13/h3-9,17H,2,10-11H2,1H3,(H,18,20).
What are the key properties of N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide has a molecular weight of 336.23 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66402731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).