4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide

C11H17BrN2O3 — CID 66175814

IUPAC4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCC(O)CO
InChIInChI=1S/C11H17BrN2O3/c1-2-3-14-6-8(12)4-10(14)11(17)13-5-9(16)7-15/h4,6,9,15-16H,2-3,5,7H2,1H3,(H,13,17)
InChIKeyPEZRFGGJCUFCLX-UHFFFAOYSA-N
MW305.17 g/mol
LogP0.74
Rot. Bonds6

About 4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide (PubChem CID 66175814) has the molecular formula C11H17BrN2O3 and a molecular weight of 305.17 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
PubChem CID66175814
Molecular FormulaC11H17BrN2O3
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC Name4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCC(O)CO
InChIInChI=1S/C11H17BrN2O3/c1-2-3-14-6-8(12)4-10(14)11(17)13-5-9(16)7-15/h4,6,9,15-16H,2-3,5,7H2,1H3,(H,13,17)
InChIKeyPEZRFGGJCUFCLX-UHFFFAOYSA-N
XLogP0.74
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
2-[[(4-bromo-1-propylpyrrole-2-carbonyl)amino]methyl]butanoic acid
CID 65219933
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methoxypropanoic acid
CID 114144339
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
4-bromo-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83031512
3-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 55105211
N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66176682
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 79351058
4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
CID 66106842
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylbutanoic acid
CID 79792804
4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propylpyrrole-2-carboxamide
CID 115360482

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide (CID 66175814) is 4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCC(O)CO.
What is the InChIKey of 4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is PEZRFGGJCUFCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3/c1-2-3-14-6-8(12)4-10(14)11(17)13-5-9(16)7-15/h4,6,9,15-16H,2-3,5,7H2,1H3,(H,13,17).
What are the key properties of 4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 305.17 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 66175814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).