(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile

C18H15BrN2O — CID 7472181

IUPAC(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile
SMILESCc1ccc(N2C(=O)CC[C@]2(C#N)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H15BrN2O/c1-13-2-8-16(9-3-13)21-17(22)10-11-18(21,12-20)14-4-6-15(19)7-5-14/h2-9H,10-11H2,1H3/t18-/m0/s1
InChIKeyUGBLJJGHPNYDTM-SFHVURJKSA-N
MW355.24 g/mol
LogP4.30
Rot. Bonds2

About (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile

(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile (PubChem CID 7472181) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile
PubChem CID7472181
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC Name(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile
SMILESCc1ccc(N2C(=O)CC[C@]2(C#N)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H15BrN2O/c1-13-2-8-16(9-3-13)21-17(22)10-11-18(21,12-20)14-4-6-15(19)7-5-14/h2-9H,10-11H2,1H3/t18-/m0/s1
InChIKeyUGBLJJGHPNYDTM-SFHVURJKSA-N
XLogP4.30
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile
CID 938010
(2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile
CID 1214293
3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-1-(4-methylphenyl)imidazolidin-2-one
CID 163575279
3,3-dimethyl-4-(4-methylphenyl)-1,4-diazepan-5-one
CID 117023477
trans-(1R,2S)-1-(4-bromophenyl)-2-methylcyclopropane-1-carbonitrile
CID 177150775
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
(5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one
CID 163570312
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
1-(4-bromophenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 82382874
3-(4-bromophenyl)-2',3'-dimethylspiro[1,3-thiazolidine-2,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-4-one
CID 11429956
2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one
CID 1201017

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile?
The IUPAC name of (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile (CID 7472181) is (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile?
The canonical SMILES for (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile is Cc1ccc(N2C(=O)CC[C@]2(C#N)c2ccc(Br)cc2)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile?
The InChIKey is UGBLJJGHPNYDTM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15BrN2O/c1-13-2-8-16(9-3-13)21-17(22)10-11-18(21,12-20)14-4-6-15(19)7-5-14/h2-9H,10-11H2,1H3/t18-/m0/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile?
(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile has a molecular weight of 355.24 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carbonitrile is sourced from PubChem (CID 7472181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).