4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide

C16H25BrN2O — CID 79351058

IUPAC4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C16H25BrN2O/c1-6-7-19-10-11(17)8-12(19)14(20)18-9-13-15(2,3)16(13,4)5/h8,10,13H,6-7,9H2,1-5H3,(H,18,20)
InChIKeyRQGAXFOWFGJBAS-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.07
Rot. Bonds5

About 4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide

4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide (PubChem CID 79351058) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide
PubChem CID79351058
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C16H25BrN2O/c1-6-7-19-10-11(17)8-12(19)14(20)18-9-13-15(2,3)16(13,4)5/h8,10,13H,6-7,9H2,1-5H3,(H,18,20)
InChIKeyRQGAXFOWFGJBAS-UHFFFAOYSA-N
XLogP4.07
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 55226070
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 54932144
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
4-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 81130387
4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66175814
2-[[(4-bromo-1-propylpyrrole-2-carbonyl)amino]methyl]butanoic acid
CID 65219933
4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propylpyrrole-2-carboxamide
CID 115360482
4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641464
4-bromo-N-[3-(dimethylamino)-3-oxopropyl]-1-propylpyrrole-2-carboxamide
CID 54934711
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 81093916

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide (CID 79351058) is 4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide?
The InChIKey is RQGAXFOWFGJBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-6-7-19-10-11(17)8-12(19)14(20)18-9-13-15(2,3)16(13,4)5/h8,10,13H,6-7,9H2,1-5H3,(H,18,20).
What are the key properties of 4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide?
4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 79351058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).