4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide

C18H22BrN3O — CID 56556366

IUPAC4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(N2CCC(C)C2)cc1
InChIInChI=1S/C18H22BrN3O/c1-3-21-12-14(19)10-17(21)18(23)20-15-4-6-16(7-5-15)22-9-8-13(2)11-22/h4-7,10,12-13H,3,8-9,11H2,1-2H3,(H,20,23)
InChIKeyDEYDAYZUIRNSPK-UHFFFAOYSA-N
MW376.30 g/mol
LogP4.37
Rot. Bonds4

About 4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide

4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide (PubChem CID 56556366) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
PubChem CID56556366
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(N2CCC(C)C2)cc1
InChIInChI=1S/C18H22BrN3O/c1-3-21-12-14(19)10-17(21)18(23)20-15-4-6-16(7-5-15)22-9-8-13(2)11-22/h4-7,10,12-13H,3,8-9,11H2,1-2H3,(H,20,23)
InChIKeyDEYDAYZUIRNSPK-UHFFFAOYSA-N
XLogP4.37
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-fluoro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556215
4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
CID 43640826
4-(diethylsulfamoyl)-1-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56555908
1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56557962
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide
CID 60955535
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559113
2-hydroxy-5-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559329
4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride
CID 119473757
2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559405
N-(3-amino-4-fluorophenyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 63257043

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide (CID 56556366) is 4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1ccc(N2CCC(C)C2)cc1.
What is the InChIKey of 4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide?
The InChIKey is DEYDAYZUIRNSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-3-21-12-14(19)10-17(21)18(23)20-15-4-6-16(7-5-15)22-9-8-13(2)11-22/h4-7,10,12-13H,3,8-9,11H2,1-2H3,(H,20,23).
What are the key properties of 4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide has a molecular weight of 376.30 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 56556366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).