4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide

C14H22BrN3O2 — CID 71995211

IUPAC4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C14H22BrN3O2/c1-9(2)17-13(19)5-6-16-14(20)12-7-11(15)8-18(12)10(3)4/h7-10H,5-6H2,1-4H3,(H,16,20)(H,17,19)
InChIKeyFKGYDLMVIWGGPE-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.48
Rot. Bonds6

About 4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 71995211) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID71995211
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C14H22BrN3O2/c1-9(2)17-13(19)5-6-16-14(20)12-7-11(15)8-18(12)10(3)4/h7-10H,5-6H2,1-4H3,(H,16,20)(H,17,19)
InChIKeyFKGYDLMVIWGGPE-UHFFFAOYSA-N
XLogP2.48
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 71995211) is 4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)NC(=O)CCNC(=O)c1cc(Br)cn1C(C)C.
What is the InChIKey of 4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is FKGYDLMVIWGGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-9(2)17-13(19)5-6-16-14(20)12-7-11(15)8-18(12)10(3)4/h7-10H,5-6H2,1-4H3,(H,16,20)(H,17,19).
What are the key properties of 4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 71995211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).