4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide

C13H12BrN3O — CID 63252902

IUPAC4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1cc(Br)c[nH]1
InChIInChI=1S/C13H12BrN3O/c14-9-6-12(16-7-9)13(18)17-10-1-2-11-8(5-10)3-4-15-11/h1-2,5-7,15-16H,3-4H2,(H,17,18)
InChIKeyHSYKIWWPPYBHMD-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.00
Rot. Bonds2

About 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide

4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide (PubChem CID 63252902) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide
PubChem CID63252902
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1cc(Br)c[nH]1
InChIInChI=1S/C13H12BrN3O/c14-9-6-12(16-7-9)13(18)17-10-1-2-11-8(5-10)3-4-15-11/h1-2,5-7,15-16H,3-4H2,(H,17,18)
InChIKeyHSYKIWWPPYBHMD-UHFFFAOYSA-N
XLogP3.00
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 18109255
5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
CID 65312010
N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide
CID 63252905
2-bromo-5-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 103806053
4-bromo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 51300206
2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
CID 81112809
5-chloro-N-(2,3-dihydro-1H-indol-5-yl)furan-2-carboxamide
CID 55168567
N-(2,3-dihydro-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 79217122
5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 63282312
4-bromo-N-(4-bromo-3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 107613080
N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide
CID 63252893
N-(2,3-dihydro-1H-indol-5-yl)thiadiazole-4-carboxamide
CID 65216392

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide (CID 63252902) is 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccc2c(c1)CCN2)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is HSYKIWWPPYBHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-9-6-12(16-7-9)13(18)17-10-1-2-11-8(5-10)3-4-15-11/h1-2,5-7,15-16H,3-4H2,(H,17,18).
What are the key properties of 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 63252902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).