N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

C20H21BrN2O2 — CID 134049269

IUPACN-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2Br)c(C)n1Cc1ccco1
InChIInChI=1S/C20H21BrN2O2/c1-13-11-18(15(3)23(13)12-16-7-6-10-25-16)20(24)22-14(2)17-8-4-5-9-19(17)21/h4-11,14H,12H2,1-3H3,(H,22,24)
InChIKeyZLIZVNORCJHENF-UHFFFAOYSA-N
MW401.30 g/mol
LogP5.00
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 134049269) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID134049269
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2Br)c(C)n1Cc1ccco1
InChIInChI=1S/C20H21BrN2O2/c1-13-11-18(15(3)23(13)12-16-7-6-10-25-16)20(24)22-14(2)17-8-4-5-9-19(17)21/h4-11,14H,12H2,1-3H3,(H,22,24)
InChIKeyZLIZVNORCJHENF-UHFFFAOYSA-N
XLogP5.00
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 43020705
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-3-carboxamide
CID 51097792
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide
CID 47011823
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 134049178
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732435
[(2S)-1-amino-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732292
(2S)-2-(4-acetylpiperazin-1-yl)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]propan-1-one
CID 9276152
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732261

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (CID 134049269) is N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NC(C)c2ccccc2Br)c(C)n1Cc1ccco1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is ZLIZVNORCJHENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c1-13-11-18(15(3)23(13)12-16-7-6-10-25-16)20(24)22-14(2)17-8-4-5-9-19(17)21/h4-11,14H,12H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 401.30 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 134049269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).