4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide

C14H21BrN2O3 — CID 71986188

IUPAC4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide
SMILESCC(CNC(=O)c1cc(Br)cn1C)CC1(C)OCCO1
InChIInChI=1S/C14H21BrN2O3/c1-10(7-14(2)19-4-5-20-14)8-16-13(18)12-6-11(15)9-17(12)3/h6,9-10H,4-5,7-8H2,1-3H3,(H,16,18)
InChIKeyUHNIZFAKIQMHAE-UHFFFAOYSA-N
MW345.24 g/mol
LogP2.31
Rot. Bonds5

About 4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide

4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide (PubChem CID 71986188) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide
PubChem CID71986188
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide
SMILESCC(CNC(=O)c1cc(Br)cn1C)CC1(C)OCCO1
InChIInChI=1S/C14H21BrN2O3/c1-10(7-14(2)19-4-5-20-14)8-16-13(18)12-6-11(15)9-17(12)3/h6,9-10H,4-5,7-8H2,1-3H3,(H,16,18)
InChIKeyUHNIZFAKIQMHAE-UHFFFAOYSA-N
XLogP2.31
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063480
4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 103722169
4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 63294689
4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide
CID 115634355
2-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473753
4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide
CID 97228400
1-acetyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 97086803
4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 75381546
4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide
CID 61229345
4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide
CID 61470818
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65111825
4-bromo-1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 60701907

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide (CID 71986188) is 4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide is CC(CNC(=O)c1cc(Br)cn1C)CC1(C)OCCO1.
What is the InChIKey of 4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide?
The InChIKey is UHNIZFAKIQMHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-10(7-14(2)19-4-5-20-14)8-16-13(18)12-6-11(15)9-17(12)3/h6,9-10H,4-5,7-8H2,1-3H3,(H,16,18).
What are the key properties of 4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide?
4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide has a molecular weight of 345.24 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide is sourced from PubChem (CID 71986188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).