(4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one

C24H21NO2 — CID 135031260

IUPAC(4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one
SMILESCOc1ccc(C2(c3ccccc3)C(=O)C=C[C@H]2Nc2ccccc2)cc1
InChIInChI=1S/C24H21NO2/c1-27-21-14-12-19(13-15-21)24(18-8-4-2-5-9-18)22(16-17-23(24)26)25-20-10-6-3-7-11-20/h2-17,22,25H,1H3/t22-,24?/m1/s1
InChIKeyYINUFEZBAVHJMF-LETIRJCYSA-N
MW355.44 g/mol
LogP4.60
Rot. Bonds5

About (4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one

(4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one (PubChem CID 135031260) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one
PubChem CID135031260
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name(4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one
SMILESCOc1ccc(C2(c3ccccc3)C(=O)C=C[C@H]2Nc2ccccc2)cc1
InChIInChI=1S/C24H21NO2/c1-27-21-14-12-19(13-15-21)24(18-8-4-2-5-9-18)22(16-17-23(24)26)25-20-10-6-3-7-11-20/h2-17,22,25H,1H3/t22-,24?/m1/s1
InChIKeyYINUFEZBAVHJMF-LETIRJCYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
3-(4-methoxyanilino)-1-phenylcyclobutane-1-carbonitrile
CID 64906486
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
(1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one
CID 155930667
2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione
CID 56689373
N-tert-butyl-4-(4-methoxyphenyl)-4-phenylcyclopent-2-en-1-amine
CID 10591883
(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
CID 52872809
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
CID 102494819
3-(4-methoxyphenyl)-4,4-diphenyl-1-(1H-1,2,4-triazol-5-yl)azetidin-2-one
CID 139233808

Frequently Asked Questions

What is the IUPAC name of (4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one?
The IUPAC name of (4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one (CID 135031260) is (4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one is COc1ccc(C2(c3ccccc3)C(=O)C=C[C@H]2Nc2ccccc2)cc1.
What is the InChIKey of (4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one?
The InChIKey is YINUFEZBAVHJMF-LETIRJCYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-27-21-14-12-19(13-15-21)24(18-8-4-2-5-9-18)22(16-17-23(24)26)25-20-10-6-3-7-11-20/h2-17,22,25H,1H3/t22-,24?/m1/s1.
What are the key properties of (4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one?
(4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one has a molecular weight of 355.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-anilino-5-(4-methoxyphenyl)-5-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 135031260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).