3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione

C26H23ClN2O3 — CID 110595733

IUPAC3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCc1c(Cl)cccc1NC1=C(c2ccccc2)C(=O)N(c2ccccc2OC(C)C)C1=O
InChIInChI=1S/C26H23ClN2O3/c1-16(2)32-22-15-8-7-14-21(22)29-25(30)23(18-10-5-4-6-11-18)24(26(29)31)28-20-13-9-12-19(27)17(20)3/h4-16,28H,1-3H3
InChIKeyPDJIVKWOZOZOMG-UHFFFAOYSA-N
MW446.93 g/mol
LogP5.83
Rot. Bonds6

About 3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione

3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110595733) has the molecular formula C26H23ClN2O3 and a molecular weight of 446.93 g/mol. Its IUPAC name is 3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110595733
Molecular FormulaC26H23ClN2O3
Molecular Weight446.93 g/mol
Exact Mass446.14
IUPAC Name3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCc1c(Cl)cccc1NC1=C(c2ccccc2)C(=O)N(c2ccccc2OC(C)C)C1=O
InChIInChI=1S/C26H23ClN2O3/c1-16(2)32-22-15-8-7-14-21(22)29-25(30)23(18-10-5-4-6-11-18)24(26(29)31)28-20-13-9-12-19(27)17(20)3/h4-16,28H,1-3H3
InChIKeyPDJIVKWOZOZOMG-UHFFFAOYSA-N
XLogP5.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-(3-chloro-2-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110595918
3-(3-chloro-2-methylanilino)-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595876
3-(2,5-dimethylanilino)-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110587211
1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2-ethoxyanilino)pyrrole-2,5-dione
CID 110599704
3-(3-chloro-2-methylanilino)-1-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587137
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110587203
3-(3-chloro-2-methylanilino)-4-(4-ethoxyphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110588162
3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110598292
3-hydroxy-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110581253
3-(3-chloro-2-methylanilino)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594725
N-[4-[4-(3-chloro-2-methylanilino)-1-(2-fluorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596657
3-(3-chloro-2-methylanilino)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594589

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110595733) is 3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione is Cc1c(Cl)cccc1NC1=C(c2ccccc2)C(=O)N(c2ccccc2OC(C)C)C1=O.
What is the InChIKey of 3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is PDJIVKWOZOZOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O3/c1-16(2)32-22-15-8-7-14-21(22)29-25(30)23(18-10-5-4-6-11-18)24(26(29)31)28-20-13-9-12-19(27)17(20)3/h4-16,28H,1-3H3.
What are the key properties of 3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione?
3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 446.93 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylanilino)-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110595733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).