4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide

C11H17BrN2O — CID 62047480

IUPAC4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H17BrN2O/c1-3-5-9(4-2)14-11(15)10-6-8(12)7-13-10/h6-7,9,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyBOOMJIKLMYFHMO-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.09
Rot. Bonds5

About 4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide

4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide (PubChem CID 62047480) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide
PubChem CID62047480
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H17BrN2O/c1-3-5-9(4-2)14-11(15)10-6-8(12)7-13-10/h6-7,9,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyBOOMJIKLMYFHMO-UHFFFAOYSA-N
XLogP3.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]pentanoic acid
CID 43630226
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103722970
4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide
CID 106021614
4-bromo-N-(2-ethyl-1-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 63524588
3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide
CID 64525274
2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62480168
4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide
CID 103658535
4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide
CID 51218079
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 93317785
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
CID 104981075
4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 47210992
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide (CID 62047480) is 4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide is CCCC(CC)NC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide?
The InChIKey is BOOMJIKLMYFHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-3-5-9(4-2)14-11(15)10-6-8(12)7-13-10/h6-7,9,13H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide?
4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide has a molecular weight of 273.17 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 62047480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).