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

C14H13Br2N3O — CID 61471948

IUPAC4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(Br)cc2Br)n(C2CC2)c1
InChIInChI=1S/C14H13Br2N3O/c15-8-1-4-12(11(16)5-8)18-14(20)13-6-9(17)7-19(13)10-2-3-10/h1,4-7,10H,2-3,17H2,(H,18,20)
InChIKeyWIBCHRKMPPPIDS-UHFFFAOYSA-N
MW399.09 g/mol
LogP4.18
Rot. Bonds3

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

4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide (PubChem CID 61471948) has the molecular formula C14H13Br2N3O and a molecular weight of 399.09 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
PubChem CID61471948
Molecular FormulaC14H13Br2N3O
Molecular Weight399.09 g/mol
Exact Mass396.94
IUPAC Name4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(Br)cc2Br)n(C2CC2)c1
InChIInChI=1S/C14H13Br2N3O/c15-8-1-4-12(11(16)5-8)18-14(20)13-6-9(17)7-19(13)10-2-3-10/h1,4-7,10H,2-3,17H2,(H,18,20)
InChIKeyWIBCHRKMPPPIDS-UHFFFAOYSA-N
XLogP4.18
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.09
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
CID 60954928
4-amino-N-(2-cyanophenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43642256
4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide
CID 43642381
4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43643307
4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 60955186
4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide
CID 107699264
4-bromo-1-cyclopropyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62814713
4-amino-1-cyclopropyl-N-(1,2,4-triazin-3-yl)pyrrole-2-carboxamide
CID 114386710
4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide
CID 55214904
4-amino-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 43643716
(5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61316831
4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide
CID 107211253

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide (CID 61471948) is 4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide is Nc1cc(C(=O)Nc2ccc(Br)cc2Br)n(C2CC2)c1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide?
The InChIKey is WIBCHRKMPPPIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3O/c15-8-1-4-12(11(16)5-8)18-14(20)13-6-9(17)7-19(13)10-2-3-10/h1,4-7,10H,2-3,17H2,(H,18,20).
What are the key properties of 4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide has a molecular weight of 399.09 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61471948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).