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

C15H17BrClN3O — CID 119473757

IUPAC4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc2c(c1)CCN2.Cl
InChIInChI=1S/C15H16BrN3O.ClH/c1-2-19-9-11(16)8-14(19)15(20)18-12-3-4-13-10(7-12)5-6-17-13;/h3-4,7-9,17H,2,5-6H2,1H3,(H,18,20);1H
InChIKeyPDPZZOGRPKWEKX-UHFFFAOYSA-N
MW370.68 g/mol
LogP3.91
Rot. Bonds3

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

4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119473757) has the molecular formula C15H17BrClN3O and a molecular weight of 370.68 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride
PubChem CID119473757
Molecular FormulaC15H17BrClN3O
Molecular Weight370.68 g/mol
Exact Mass369.02
IUPAC Name4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc2c(c1)CCN2.Cl
InChIInChI=1S/C15H16BrN3O.ClH/c1-2-19-9-11(16)8-14(19)15(20)18-12-3-4-13-10(7-12)5-6-17-13;/h3-4,7-9,17H,2,5-6H2,1H3,(H,18,20);1H
InChIKeyPDPZZOGRPKWEKX-UHFFFAOYSA-N
XLogP3.91
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.68
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide
CID 63253284
4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
CID 43640826
N-(3-amino-4-fluorophenyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 63257043
5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
CID 65312010
4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrole-2-carboxamide
CID 63252902
4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641006
4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide
CID 60955535
N-(2,3-dihydro-1H-indol-5-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810956
N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107300902
4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955301
N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide
CID 119473764

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride (CID 119473757) is 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride is CCn1cc(Br)cc1C(=O)Nc1ccc2c(c1)CCN2.Cl.
What is the InChIKey of 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is PDPZZOGRPKWEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O.ClH/c1-2-19-9-11(16)8-14(19)15(20)18-12-3-4-13-10(7-12)5-6-17-13;/h3-4,7-9,17H,2,5-6H2,1H3,(H,18,20);1H.
What are the key properties of 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride?
4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 370.68 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119473757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).