4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide

C14H23BrN2O — CID 43641536

IUPAC4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(CC(C)C)C(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C14H23BrN2O/c1-6-16(8-10(2)3)14(18)13-7-12(15)9-17(13)11(4)5/h7,9-11H,6,8H2,1-5H3
InChIKeyOVVGWUOCKGYTID-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.95
Rot. Bonds5

About 4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43641536) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43641536
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(CC(C)C)C(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C14H23BrN2O/c1-6-16(8-10(2)3)14(18)13-7-12(15)9-17(13)11(4)5/h7,9-11H,6,8H2,1-5H3
InChIKeyOVVGWUOCKGYTID-UHFFFAOYSA-N
XLogP3.95
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 43432093
4-bromo-N-methyl-N-pentan-2-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 43641769
N-(2-amino-2-oxoethyl)-4-bromo-N-butyl-1-propan-2-ylpyrrole-2-carboxamide
CID 60956302
4-bromo-N-(4-methylpentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54913924
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831562
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 112754506
4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115772438
4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide
CID 103707553
4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 60954917
4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 60807774
4-bromo-N-(2-cyanopropyl)-N-ethyl-1-methylpyrrole-2-carboxamide
CID 54878056

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43641536) is 4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide is CCN(CC(C)C)C(=O)c1cc(Br)cn1C(C)C.
What is the InChIKey of 4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is OVVGWUOCKGYTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-6-16(8-10(2)3)14(18)13-7-12(15)9-17(13)11(4)5/h7,9-11H,6,8H2,1-5H3.
What are the key properties of 4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 315.26 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43641536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).