(2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone

C21H14BrNO — CID 102572493

IUPAC(2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone
SMILESO=C(c1ccccc1Br)c1c[nH]cc1-c1cccc2ccccc12
InChIInChI=1S/C21H14BrNO/c22-20-11-4-3-9-17(20)21(24)19-13-23-12-18(19)16-10-5-7-14-6-1-2-8-15(14)16/h1-13,23H
InChIKeyWTYWXUUAURNXOW-UHFFFAOYSA-N
MW376.25 g/mol
LogP5.83
Rot. Bonds3

About (2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone

(2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone (PubChem CID 102572493) has the molecular formula C21H14BrNO and a molecular weight of 376.25 g/mol. Its IUPAC name is (2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone
PubChem CID102572493
Molecular FormulaC21H14BrNO
Molecular Weight376.25 g/mol
Exact Mass375.03
IUPAC Name(2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone
SMILESO=C(c1ccccc1Br)c1c[nH]cc1-c1cccc2ccccc12
InChIInChI=1S/C21H14BrNO/c22-20-11-4-3-9-17(20)21(24)19-13-23-12-18(19)16-10-5-7-14-6-1-2-8-15(14)16/h1-13,23H
InChIKeyWTYWXUUAURNXOW-UHFFFAOYSA-N
XLogP5.83
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.25
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
N-(2-bromobenzoyl)naphthalene-1-carbohydrazide
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10-bromo-1,8-dinaphthalen-1-ylanthracene
CID 142748884
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
(2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone
CID 125473498
2-(8-bromonaphthalen-1-yl)benzoic acid
CID 102060939
2-methylbenzene-1,3-dicarboxylic acid;1-(2-methylphenyl)naphthalene
CID 174256313
4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid
CID 147324175

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone?
The IUPAC name of (2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone (CID 102572493) is (2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone is O=C(c1ccccc1Br)c1c[nH]cc1-c1cccc2ccccc12.
What is the InChIKey of (2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone?
The InChIKey is WTYWXUUAURNXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrNO/c22-20-11-4-3-9-17(20)21(24)19-13-23-12-18(19)16-10-5-7-14-6-1-2-8-15(14)16/h1-13,23H.
What are the key properties of (2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone?
(2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone has a molecular weight of 376.25 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 102572493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).