4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide

C14H10BrF3N2O — CID 62812529

IUPAC4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1F)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H10BrF3N2O/c15-7-3-12(20(6-7)9-1-2-9)14(21)19-11-5-8(16)4-10(17)13(11)18/h3-6,9H,1-2H2,(H,19,21)
InChIKeyUXLVJMNUVMEXRD-UHFFFAOYSA-N
MW359.15 g/mol
LogP4.26
Rot. Bonds3

About 4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide (PubChem CID 62812529) has the molecular formula C14H10BrF3N2O and a molecular weight of 359.15 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide
PubChem CID62812529
Molecular FormulaC14H10BrF3N2O
Molecular Weight359.15 g/mol
Exact Mass357.99
IUPAC Name4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1F)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H10BrF3N2O/c15-7-3-12(20(6-7)9-1-2-9)14(21)19-11-5-8(16)4-10(17)13(11)18/h3-6,9H,1-2H2,(H,19,21)
InChIKeyUXLVJMNUVMEXRD-UHFFFAOYSA-N
XLogP4.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-cyclopropyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62814713
4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
CID 60954928
4-bromo-1-cyclopropyl-N-(4-hydroxy-2,5-dimethylphenyl)pyrrole-2-carboxamide
CID 106954519
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 60955186
4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 63327596
4-bromo-1-cyclopropyl-N-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 79044242
4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
CID 43640889
4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 43641260
4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 113433723
N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 66187704
4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide
CID 43641450

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide (CID 62812529) is 4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide is O=C(Nc1cc(F)cc(F)c1F)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide?
The InChIKey is UXLVJMNUVMEXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O/c15-7-3-12(20(6-7)9-1-2-9)14(21)19-11-5-8(16)4-10(17)13(11)18/h3-6,9H,1-2H2,(H,19,21).
What are the key properties of 4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide has a molecular weight of 359.15 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 62812529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).