2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide

C24H22Cl2N2O2 — CID 2983563

IUPAC2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H22Cl2N2O2/c1-16(7-8-17-5-3-2-4-6-17)27-23(29)18-9-12-20(13-10-18)28-24(30)21-14-11-19(25)15-22(21)26/h2-6,9-16H,7-8H2,1H3,(H,27,29)(H,28,30)
InChIKeyVNCRVYGEPRXROF-UHFFFAOYSA-N
MW441.36 g/mol
LogP6.00
Rot. Bonds7

About 2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide

2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 2983563) has the molecular formula C24H22Cl2N2O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID2983563
Molecular FormulaC24H22Cl2N2O2
Molecular Weight441.36 g/mol
Exact Mass440.11
IUPAC Name2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H22Cl2N2O2/c1-16(7-8-17-5-3-2-4-6-17)27-23(29)18-9-12-20(13-10-18)28-24(30)21-14-11-19(25)15-22(21)26/h2-6,9-16H,7-8H2,1H3,(H,27,29)(H,28,30)
InChIKeyVNCRVYGEPRXROF-UHFFFAOYSA-N
XLogP6.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide (CID 2983563) is 2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide is CC(CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is VNCRVYGEPRXROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2/c1-16(7-8-17-5-3-2-4-6-17)27-23(29)18-9-12-20(13-10-18)28-24(30)21-14-11-19(25)15-22(21)26/h2-6,9-16H,7-8H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide?
2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 441.36 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 2983563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).