4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide

C14H11Br3N2O — CID 60954928

IUPAC4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H11Br3N2O/c15-8-1-4-12(11(17)5-8)18-14(20)13-6-9(16)7-19(13)10-2-3-10/h1,4-7,10H,2-3H2,(H,18,20)
InChIKeyHTKFVRSEVZKUNW-UHFFFAOYSA-N
MW462.97 g/mol
LogP5.36
Rot. Bonds3

About 4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide (PubChem CID 60954928) has the molecular formula C14H11Br3N2O and a molecular weight of 462.97 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
PubChem CID60954928
Molecular FormulaC14H11Br3N2O
Molecular Weight462.97 g/mol
Exact Mass459.84
IUPAC Name4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H11Br3N2O/c15-8-1-4-12(11(17)5-8)18-14(20)13-6-9(16)7-19(13)10-2-3-10/h1,4-7,10H,2-3H2,(H,18,20)
InChIKeyHTKFVRSEVZKUNW-UHFFFAOYSA-N
XLogP5.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.97
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
CID 61471948
4-bromo-1-cyclopropyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62814713
4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 60955186
4-bromo-1-cyclopropyl-N-(4-hydroxy-2,5-dimethylphenyl)pyrrole-2-carboxamide
CID 106954519
4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62812529
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-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-1-cyclopropyl-N-(1,2-oxazol-3-yl)pyrrole-2-carboxamide
CID 62903302
4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 82858850
4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 64787688
4-bromo-1-cyclopropyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxamide
CID 43640893

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide (CID 60954928) is 4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide is O=C(Nc1ccc(Br)cc1Br)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide?
The InChIKey is HTKFVRSEVZKUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3N2O/c15-8-1-4-12(11(17)5-8)18-14(20)13-6-9(16)7-19(13)10-2-3-10/h1,4-7,10H,2-3H2,(H,18,20).
What are the key properties of 4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide has a molecular weight of 462.97 g/mol, XLogP of 5.36, 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-(2,4-dibromophenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 60954928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).