4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide

C25H21ClN2O3 — CID 4628171

IUPAC4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1
InChIInChI=1S/C25H21ClN2O3/c1-25(2,3)16-10-8-15(9-11-16)22(29)27-21-13-12-17(14-20(21)26)28-23(30)18-6-4-5-7-19(18)24(28)31/h4-14H,1-3H3,(H,27,29)
InChIKeyBDCVUPNNTNKHND-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.69
Rot. Bonds3

About 4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide

4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide (PubChem CID 4628171) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
PubChem CID4628171
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC Name4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1
InChIInChI=1S/C25H21ClN2O3/c1-25(2,3)16-10-8-15(9-11-16)22(29)27-21-13-12-17(14-20(21)26)28-23(30)18-6-4-5-7-19(18)24(28)31/h4-14H,1-3H3,(H,27,29)
InChIKeyBDCVUPNNTNKHND-UHFFFAOYSA-N
XLogP5.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-nitrophenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 17016407
N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1189042
N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide
CID 5153626
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 3525131
N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-2-methylbenzamide
CID 3519827
4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 1188867
N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide
CID 4626816
N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide
CID 3519498
2-(4-tert-butylphenyl)-5,6-dichloroisoindole-1,3-dione
CID 2738103
2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 168516613
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide (CID 4628171) is 4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide?
The InChIKey is BDCVUPNNTNKHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-25(2,3)16-10-8-15(9-11-16)22(29)27-21-13-12-17(14-20(21)26)28-23(30)18-6-4-5-7-19(18)24(28)31/h4-14H,1-3H3,(H,27,29).
What are the key properties of 4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide?
4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide has a molecular weight of 432.91 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide is sourced from PubChem (CID 4628171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).