N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

C26H26ClNO2 — CID 11839494

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H26ClNO2/c1-17(2)15-19-9-11-20(12-10-19)18(3)26(30)28-24-14-13-22(27)16-23(24)25(29)21-7-5-4-6-8-21/h4-14,16-18H,15H2,1-3H3,(H,28,30)
InChIKeyWBMBEUGQQUWRQT-UHFFFAOYSA-N
MW419.95 g/mol
LogP6.51
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 11839494) has the molecular formula C26H26ClNO2 and a molecular weight of 419.95 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID11839494
Molecular FormulaC26H26ClNO2
Molecular Weight419.95 g/mol
Exact Mass419.17
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H26ClNO2/c1-17(2)15-19-9-11-20(12-10-19)18(3)26(30)28-24-14-13-22(27)16-23(24)25(29)21-7-5-4-6-8-21/h4-14,16-18H,15H2,1-3H3,(H,28,30)
InChIKeyWBMBEUGQQUWRQT-UHFFFAOYSA-N
XLogP6.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.95
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(5-chloro-2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 837870
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide
CID 52916008
2-amino-N-(2-benzoyl-4-chlorophenyl)-2-fluoroacetamide
CID 23332701
(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228333
N-(2-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 14456233
(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide
CID 896234
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
(2S)-N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 15327306
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302
(2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 7313981

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 11839494) is N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is WBMBEUGQQUWRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClNO2/c1-17(2)15-19-9-11-20(12-10-19)18(3)26(30)28-24-14-13-22(27)16-23(24)25(29)21-7-5-4-6-8-21/h4-14,16-18H,15H2,1-3H3,(H,28,30).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 419.95 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 11839494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).