4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide

C16H25BrN2O — CID 60955282

IUPAC4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C16H25BrN2O/c1-4-12(5-2)10-18(6-3)16(20)15-9-13(17)11-19(15)14-7-8-14/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyOFMZWSVPTPRYLU-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.48
Rot. Bonds7

About 4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide (PubChem CID 60955282) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide
PubChem CID60955282
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C16H25BrN2O/c1-4-12(5-2)10-18(6-3)16(20)15-9-13(17)11-19(15)14-7-8-14/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyOFMZWSVPTPRYLU-UHFFFAOYSA-N
XLogP4.48
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-cyanopropyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 54878068
4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide
CID 54877638
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423972
4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43641522
N-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 116652025
4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 60954319
4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 106915735
N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 115318950
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 82950994
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid
CID 54946058
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546
4-bromo-1-cyclopropyl-N-(2-ethylsulfonylethyl)pyrrole-2-carboxamide
CID 114111098

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide (CID 60955282) is 4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide is CCC(CC)CN(CC)C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide?
The InChIKey is OFMZWSVPTPRYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-4-12(5-2)10-18(6-3)16(20)15-9-13(17)11-19(15)14-7-8-14/h9,11-12,14H,4-8,10H2,1-3H3.
What are the key properties of 4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide is sourced from PubChem (CID 60955282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).