4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide

C14H14Br2N2O2 — CID 60954974

IUPAC4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(Br)o1)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H14Br2N2O2/c1-17(8-11-4-5-13(16)20-11)14(19)12-6-9(15)7-18(12)10-2-3-10/h4-7,10H,2-3,8H2,1H3
InChIKeySTIOZRNTQINQGT-UHFFFAOYSA-N
MW402.09 g/mol
LogP4.21
Rot. Bonds4

About 4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide

4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide (PubChem CID 60954974) has the molecular formula C14H14Br2N2O2 and a molecular weight of 402.09 g/mol. Its IUPAC name is 4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
PubChem CID60954974
Molecular FormulaC14H14Br2N2O2
Molecular Weight402.09 g/mol
Exact Mass399.94
IUPAC Name4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(Br)o1)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H14Br2N2O2/c1-17(8-11-4-5-13(16)20-11)14(19)12-6-9(15)7-18(12)10-2-3-10/h4-7,10H,2-3,8H2,1H3
InChIKeySTIOZRNTQINQGT-UHFFFAOYSA-N
XLogP4.21
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.09
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60960256
4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide
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N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
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CID 55012077
4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 60954319
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CID 107980321
4-bromo-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrole-2-carboxamide
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4-bromo-1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-2-carboxamide
CID 79318654
4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 106915735
4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide (CID 60954974) is 4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide is CN(Cc1ccc(Br)o1)C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The InChIKey is STIOZRNTQINQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2/c1-17(8-11-4-5-13(16)20-11)14(19)12-6-9(15)7-18(12)10-2-3-10/h4-7,10H,2-3,8H2,1H3.
What are the key properties of 4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide has a molecular weight of 402.09 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60954974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).