4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide

C13H21BrN2O2 — CID 61247043

IUPAC4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC(CO)CC(C)C
InChIInChI=1S/C13H21BrN2O2/c1-4-16-7-10(14)6-12(16)13(18)15-11(8-17)5-9(2)3/h6-7,9,11,17H,4-5,8H2,1-3H3,(H,15,18)
InChIKeyPFPYBJAZJFGBNW-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.41
Rot. Bonds6

About 4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide

4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide (PubChem CID 61247043) has the molecular formula C13H21BrN2O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
PubChem CID61247043
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC Name4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC(CO)CC(C)C
InChIInChI=1S/C13H21BrN2O2/c1-4-16-7-10(14)6-12(16)13(18)15-11(8-17)5-9(2)3/h6-7,9,11,17H,4-5,8H2,1-3H3,(H,15,18)
InChIKeyPFPYBJAZJFGBNW-UHFFFAOYSA-N
XLogP2.41
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641426
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-nitropyrrole-2-carboxamide
CID 61246950
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
CID 120508288
N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 65191144
4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide
CID 106025484
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 43639540
4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide
CID 62199870
(2S)-2-[[2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694679
4-bromo-1-ethyl-N-(4,4,4-trifluorobutan-2-yl)pyrrole-2-carboxamide
CID 104854910
4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 63529149
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-1-propylpyrrole-2-carboxamide
CID 61246951
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide (CID 61247043) is 4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NC(CO)CC(C)C.
What is the InChIKey of 4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide?
The InChIKey is PFPYBJAZJFGBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-4-16-7-10(14)6-12(16)13(18)15-11(8-17)5-9(2)3/h6-7,9,11,17H,4-5,8H2,1-3H3,(H,15,18).
What are the key properties of 4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide has a molecular weight of 317.23 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 61247043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).