4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide

C13H18BrN3O2 — CID 60954319

IUPAC4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
SMILESCCNC(=O)CN(C)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C13H18BrN3O2/c1-3-15-12(18)8-16(2)13(19)11-6-9(14)7-17(11)10-4-5-10/h6-7,10H,3-5,8H2,1-2H3,(H,15,18)
InChIKeySPGRLDIXKQBTPB-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.79
Rot. Bonds5

About 4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide (PubChem CID 60954319) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
PubChem CID60954319
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
SMILESCCNC(=O)CN(C)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C13H18BrN3O2/c1-3-15-12(18)8-16(2)13(19)11-6-9(14)7-17(11)10-4-5-10/h6-7,10H,3-5,8H2,1-2H3,(H,15,18)
InChIKeySPGRLDIXKQBTPB-UHFFFAOYSA-N
XLogP1.79
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43641522
N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 115318950
4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide
CID 54877638
4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 106915735
4-bromo-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114949558
4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 60960256
4-bromo-1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-2-carboxamide
CID 79318654
4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 60954974
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423972
4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide
CID 114949567
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid
CID 54946058
4-bromo-1-cyclopropyl-N-[2-(dimethylcarbamoylamino)ethyl]pyrrole-2-carboxamide
CID 83121332

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide (CID 60954319) is 4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide is CCNC(=O)CN(C)C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide?
The InChIKey is SPGRLDIXKQBTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-3-15-12(18)8-16(2)13(19)11-6-9(14)7-17(11)10-4-5-10/h6-7,10H,3-5,8H2,1-2H3,(H,15,18).
What are the key properties of 4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60954319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).