4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide

C15H18BrN3O — CID 60693531

IUPAC4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)CC(NC(=O)c1cc(Br)c[nH]1)c1ccccc1
InChIInChI=1S/C15H18BrN3O/c1-19(2)10-14(11-6-4-3-5-7-11)18-15(20)13-8-12(16)9-17-13/h3-9,14,17H,10H2,1-2H3,(H,18,20)
InChIKeyIPSIITOBUUXTNF-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.81
Rot. Bonds5

About 4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide (PubChem CID 60693531) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide
PubChem CID60693531
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)CC(NC(=O)c1cc(Br)c[nH]1)c1ccccc1
InChIInChI=1S/C15H18BrN3O/c1-19(2)10-14(11-6-4-3-5-7-11)18-15(20)13-8-12(16)9-17-13/h3-9,14,17H,10H2,1-2H3,(H,18,20)
InChIKeyIPSIITOBUUXTNF-UHFFFAOYSA-N
XLogP2.81
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 63524049
4-bromo-N-(2-ethyl-1-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 63524588
6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide
CID 66462748
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
4-bromo-N-[1-(4-methoxyphenyl)propyl]-1H-pyrrole-2-carboxamide
CID 51218079
N-(2-amino-2-phenylethyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 63120519
methyl 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-methylphenyl)propanoate
CID 55440281
4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide
CID 155947722
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840
N-[2-(dimethylamino)-1-phenylethyl]-6-methylpyridine-2-carboxamide
CID 78845972
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide
CID 39984116

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide (CID 60693531) is 4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide is CN(C)CC(NC(=O)c1cc(Br)c[nH]1)c1ccccc1.
What is the InChIKey of 4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is IPSIITOBUUXTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-19(2)10-14(11-6-4-3-5-7-11)18-15(20)13-8-12(16)9-17-13/h3-9,14,17H,10H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylamino)-1-phenylethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60693531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).