(2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one

C25H22Cl2N2O — CID 124530066

IUPAC(2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc([C@H]2C=C(Nc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C25H22Cl2N2O/c1-15-4-8-18(9-5-15)24-14-23(28-19-10-6-16(2)21(26)12-19)25(30)29(24)20-11-7-17(3)22(27)13-20/h4-14,24,28H,1-3H3/t24-/m1/s1
InChIKeyHHLNZTCUJCWUDB-XMMPIXPASA-N
MW437.37 g/mol
LogP7.00
Rot. Bonds4

About (2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one

(2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 124530066) has the molecular formula C25H22Cl2N2O and a molecular weight of 437.37 g/mol. Its IUPAC name is (2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID124530066
Molecular FormulaC25H22Cl2N2O
Molecular Weight437.37 g/mol
Exact Mass436.11
IUPAC Name(2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc([C@H]2C=C(Nc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C25H22Cl2N2O/c1-15-4-8-18(9-5-15)24-14-23(28-19-10-6-16(2)21(26)12-19)25(30)29(24)20-11-7-17(3)22(27)13-20/h4-14,24,28H,1-3H3/t24-/m1/s1
InChIKeyHHLNZTCUJCWUDB-XMMPIXPASA-N
XLogP7.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.37
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one (CID 124530066) is (2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one is Cc1ccc([C@H]2C=C(Nc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of (2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is HHLNZTCUJCWUDB-XMMPIXPASA-N. The full InChI is InChI=1S/C25H22Cl2N2O/c1-15-4-8-18(9-5-15)24-14-23(28-19-10-6-16(2)21(26)12-19)25(30)29(24)20-11-7-17(3)22(27)13-20/h4-14,24,28H,1-3H3/t24-/m1/s1.
What are the key properties of (2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one?
(2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 437.37 g/mol, XLogP of 7.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-chloro-4-methylanilino)-1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 124530066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).