(4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

C17H19BrN2O — CID 62490914

IUPAC(4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESCCn1cc(Br)cc1C(=O)N1CCCCc2ccccc21
InChIInChI=1S/C17H19BrN2O/c1-2-19-12-14(18)11-16(19)17(21)20-10-6-5-8-13-7-3-4-9-15(13)20/h3-4,7,9,11-12H,2,5-6,8,10H2,1H3
InChIKeyUIGFBYMFUQNGHW-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.25
Rot. Bonds2

About (4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

(4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (PubChem CID 62490914) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
PubChem CID62490914
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name(4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESCCn1cc(Br)cc1C(=O)N1CCCCc2ccccc21
InChIInChI=1S/C17H19BrN2O/c1-2-19-12-14(18)11-16(19)17(21)20-10-6-5-8-13-7-3-4-9-15(13)20/h3-4,7,9,11-12H,2,5-6,8,10H2,1H3
InChIKeyUIGFBYMFUQNGHW-UHFFFAOYSA-N
XLogP4.25
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone with MolForge

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Related Compounds

1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one
CID 60955284
(4-bromo-2-sulfanylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107031391
(5-bromo-2-pyridinyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 62998701
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
(4-amino-1-ethylpyrrol-2-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61113186
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one
CID 39851032
6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one
CID 39851482
(4-bromo-2-sulfanylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107021560
2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 100699588

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (CID 62490914) is (4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is CCn1cc(Br)cc1C(=O)N1CCCCc2ccccc21.
What is the InChIKey of (4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The InChIKey is UIGFBYMFUQNGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-19-12-14(18)11-16(19)17(21)20-10-6-5-8-13-7-3-4-9-15(13)20/h3-4,7,9,11-12H,2,5-6,8,10H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
(4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone has a molecular weight of 347.26 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is sourced from PubChem (CID 62490914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).