4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide

C12H19BrN2O2 — CID 103658535

IUPAC4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C12H19BrN2O2/c1-3-8(4-2)11(16)7-15-12(17)10-5-9(13)6-14-10/h5-6,8,11,14,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyOJRYBXMTVCXHIK-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.30
Rot. Bonds6

About 4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide (PubChem CID 103658535) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide
PubChem CID103658535
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C12H19BrN2O2/c1-3-8(4-2)11(16)7-15-12(17)10-5-9(13)6-14-10/h5-6,8,11,14,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyOJRYBXMTVCXHIK-UHFFFAOYSA-N
XLogP2.30
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221
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CID 65111935
N-(2-amino-2-phenylethyl)-4-bromo-1H-pyrrole-2-carboxamide
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4-bromo-N-(2-ethyl-1-phenylbutyl)-1H-pyrrole-2-carboxamide
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4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43601766
4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide
CID 62047480
4-bromo-N-[2-(2-methylpropoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 115589400
4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide
CID 103737365
4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47356127
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 83120766
4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide
CID 103712976

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide (CID 103658535) is 4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide is CCC(CC)C(O)CNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide?
The InChIKey is OJRYBXMTVCXHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-3-8(4-2)11(16)7-15-12(17)10-5-9(13)6-14-10/h5-6,8,11,14,16H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide has a molecular weight of 303.20 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103658535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).