4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide

C8H8BrClN2O — CID 131086313

IUPAC4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CC1)c1cc(Br)c(Cl)[nH]1
InChIInChI=1S/C8H8BrClN2O/c9-5-3-6(12-7(5)10)8(13)11-4-1-2-4/h3-4,12H,1-2H2,(H,11,13)
InChIKeyYLYBWXSUTLNRKA-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.32
Rot. Bonds2

About 4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide

4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide (PubChem CID 131086313) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is 4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide
PubChem CID131086313
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC Name4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CC1)c1cc(Br)c(Cl)[nH]1
InChIInChI=1S/C8H8BrClN2O/c9-5-3-6(12-7(5)10)8(13)11-4-1-2-4/h3-4,12H,1-2H2,(H,11,13)
InChIKeyYLYBWXSUTLNRKA-UHFFFAOYSA-N
XLogP2.32
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide (CID 131086313) is 4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide is O=C(NC1CC1)c1cc(Br)c(Cl)[nH]1.
What is the InChIKey of 4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide?
The InChIKey is YLYBWXSUTLNRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c9-5-3-6(12-7(5)10)8(13)11-4-1-2-4/h3-4,12H,1-2H2,(H,11,13).
What are the key properties of 4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide?
4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide has a molecular weight of 263.52 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 131086313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).