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

C14H19BrN2O3 — CID 107390208

IUPAC4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide
SMILESCC1(C)OCC(CNC(=O)c2cc(Br)cn2C2CC2)O1
InChIInChI=1S/C14H19BrN2O3/c1-14(2)19-8-11(20-14)6-16-13(18)12-5-9(15)7-17(12)10-3-4-10/h5,7,10-11H,3-4,6,8H2,1-2H3,(H,16,18)
InChIKeyZWXWQSAOYGNURW-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.47
Rot. Bonds4

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

4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide (PubChem CID 107390208) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide
PubChem CID107390208
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide
SMILESCC1(C)OCC(CNC(=O)c2cc(Br)cn2C2CC2)O1
InChIInChI=1S/C14H19BrN2O3/c1-14(2)19-8-11(20-14)6-16-13(18)12-5-9(15)7-17(12)10-3-4-10/h5,7,10-11H,3-4,6,8H2,1-2H3,(H,16,18)
InChIKeyZWXWQSAOYGNURW-UHFFFAOYSA-N
XLogP2.47
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide with MolForge

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Related Compounds

4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
CID 54905662
5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103800461
4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 103800559
3-bromo-5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103827212
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614
4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide
CID 63896573
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546
4-bromo-1-cyclopropyl-N-(2-ethylsulfonylethyl)pyrrole-2-carboxamide
CID 114111098
4-bromo-1-cyclopropyl-N-(2,2-dimethoxyethyl)pyrrole-2-carboxamide
CID 61248178
4-bromo-1-cyclopropyl-N-[2-(dimethylcarbamoylamino)ethyl]pyrrole-2-carboxamide
CID 83121332
4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
CID 43641446
4-bromo-1-cyclopropyl-N-[2-(dimethylamino)-2-methylpropyl]pyrrole-2-carboxamide
CID 61249209

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide (CID 107390208) is 4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide is CC1(C)OCC(CNC(=O)c2cc(Br)cn2C2CC2)O1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is ZWXWQSAOYGNURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-14(2)19-8-11(20-14)6-16-13(18)12-5-9(15)7-17(12)10-3-4-10/h5,7,10-11H,3-4,6,8H2,1-2H3,(H,16,18).
What are the key properties of 4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 107390208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).