1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one

C24H21BrFNO — CID 139721467

IUPAC1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C24H21BrFNO/c1-15-14-27(23(28)22(15)20-6-4-5-7-21(20)26)24(2,3)18-10-8-17-13-19(25)11-9-16(17)12-18/h4-13H,14H2,1-3H3
InChIKeyWOHNGGPVYMULAT-UHFFFAOYSA-N
MW438.34 g/mol
LogP6.29
Rot. Bonds3

About 1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one

1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one (PubChem CID 139721467) has the molecular formula C24H21BrFNO and a molecular weight of 438.34 g/mol. Its IUPAC name is 1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one
PubChem CID139721467
Molecular FormulaC24H21BrFNO
Molecular Weight438.34 g/mol
Exact Mass437.08
IUPAC Name1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C24H21BrFNO/c1-15-14-27(23(28)22(15)20-6-4-5-7-21(20)26)24(2,3)18-10-8-17-13-19(25)11-9-16(17)12-18/h4-13H,14H2,1-3H3
InChIKeyWOHNGGPVYMULAT-UHFFFAOYSA-N
XLogP6.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.34
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,3aR,7aR)-2-benzyl-3-(1-bromonaphthalen-2-yl)-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one
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[4-[4-[(4-Bromophenyl)methyl]-1-piperidyl]-4-methyl-1-piperidyl]-(1-naphthyl)methanone
CID 483741
9-Bromo-6-[2-(dimethylamino)ethyl]benzo[h]isoquinolin-1(2h)-one
CID 15983017
N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide
CID 122188504
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-bromonaphthalen-2-yl)ethane-1,2-dione
CID 155534289
4-bromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2947526
(3R,3aS,7R,7aS)-2-benzyl-3-(1-bromonaphthalen-2-yl)-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746405
N-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide
CID 53494860
1-N-Methyl-4-(4-fluorophenyl)-4-(3-(4-bromonaphth-1-yl)-(3-oxo-2-N-methyl-2-azaprop-1-yl))piperidine
CID 44215922
2-benzyl-3-(1-bromonaphthalen-2-yl)-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 24868061
N,N-Diethyl 4-bromonaphthamide
CID 53216853
2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-N,N-di(propan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one (CID 139721467) is 1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one is CC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2ccc3cc(Br)ccc3c2)C1.
What is the InChIKey of 1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one?
The InChIKey is WOHNGGPVYMULAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrFNO/c1-15-14-27(23(28)22(15)20-6-4-5-7-21(20)26)24(2,3)18-10-8-17-13-19(25)11-9-16(17)12-18/h4-13H,14H2,1-3H3.
What are the key properties of 1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one?
1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one has a molecular weight of 438.34 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-bromonaphthalen-2-yl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 139721467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).