(2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide

C25H19Cl2N3O4 — CID 7037753

IUPAC(2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl2N3O4/c1-14-6-2-5-9-20(14)28-23(32)22(18-11-10-15(26)12-19(18)27)29-21(31)13-30-24(33)16-7-3-4-8-17(16)25(30)34/h2-12,22H,13H2,1H3,(H,28,32)(H,29,31)/t22-/m0/s1
InChIKeyZFUUQVHKFMCOGB-QFIPXVFZSA-N
MW496.35 g/mol
LogP4.39
Rot. Bonds6

About (2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide

(2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide (PubChem CID 7037753) has the molecular formula C25H19Cl2N3O4 and a molecular weight of 496.35 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide
PubChem CID7037753
Molecular FormulaC25H19Cl2N3O4
Molecular Weight496.35 g/mol
Exact Mass495.08
IUPAC Name(2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl2N3O4/c1-14-6-2-5-9-20(14)28-23(32)22(18-11-10-15(26)12-19(18)27)29-21(31)13-30-24(33)16-7-3-4-8-17(16)25(30)34/h2-12,22H,13H2,1H3,(H,28,32)(H,29,31)/t22-/m0/s1
InChIKeyZFUUQVHKFMCOGB-QFIPXVFZSA-N
XLogP4.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.35
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)-2-phenylacetamide
CID 41165191
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide
CID 113201524
N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201722
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide
CID 9427038
[(2R)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 40855482
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 9253961
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide
CID 3521204
N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201778
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide (CID 7037753) is (2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide?
The InChIKey is ZFUUQVHKFMCOGB-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H19Cl2N3O4/c1-14-6-2-5-9-20(14)28-23(32)22(18-11-10-15(26)12-19(18)27)29-21(31)13-30-24(33)16-7-3-4-8-17(16)25(30)34/h2-12,22H,13H2,1H3,(H,28,32)(H,29,31)/t22-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide?
(2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide has a molecular weight of 496.35 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 7037753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).