4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide

C15H17Br2N3O2 — CID 122207547

IUPAC4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)cc1
InChIInChI=1S/C15H17Br2N3O2/c1-20(2)7-8-22-11-5-3-10(4-6-11)18-15(21)13-9-12(16)14(17)19-13/h3-6,9,19H,7-8H2,1-2H3,(H,18,21)
InChIKeyLFQPOUGHBXERQB-UHFFFAOYSA-N
MW431.13 g/mol
LogP3.73
Rot. Bonds6

About 4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide

4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 122207547) has the molecular formula C15H17Br2N3O2 and a molecular weight of 431.13 g/mol. Its IUPAC name is 4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide
PubChem CID122207547
Molecular FormulaC15H17Br2N3O2
Molecular Weight431.13 g/mol
Exact Mass428.97
IUPAC Name4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)cc1
InChIInChI=1S/C15H17Br2N3O2/c1-20(2)7-8-22-11-5-3-10(4-6-11)18-15(21)13-9-12(16)14(17)19-13/h3-6,9,19H,7-8H2,1-2H3,(H,18,21)
InChIKeyLFQPOUGHBXERQB-UHFFFAOYSA-N
XLogP3.73
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.13
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]phenoxy]acetate
CID 122207546
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
CID 60793170
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide
CID 60793021
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
CID 121239429
N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,1,3,3-tetramethyl-2H-indene-5-carboxamide
CID 19760314
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
CID 87006864
2-[[4-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]benzoyl]amino]acetic acid
CID 91819622
diethyl 2-[[4-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]benzoyl]amino]propanedioate
CID 162661246
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 86898687
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(methoxymethyl)benzamide
CID 87006893
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide (CID 122207547) is 4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide is CN(C)CCOc1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)cc1.
What is the InChIKey of 4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LFQPOUGHBXERQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2N3O2/c1-20(2)7-8-22-11-5-3-10(4-6-11)18-15(21)13-9-12(16)14(17)19-13/h3-6,9,19H,7-8H2,1-2H3,(H,18,21).
What are the key properties of 4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide?
4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 431.13 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 122207547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).