N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide

C24H21Cl2NO3 — CID 19191287

IUPACN-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C24H21Cl2NO3/c1-16-14-19(10-11-21(16)26)30-13-5-8-23(28)27-22-12-9-18(25)15-20(22)24(29)17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,27,28)
InChIKeyRMPKYWRYZFUPFN-UHFFFAOYSA-N
MW442.34 g/mol
LogP6.33
Rot. Bonds8

About N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide

N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide (PubChem CID 19191287) has the molecular formula C24H21Cl2NO3 and a molecular weight of 442.34 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide
PubChem CID19191287
Molecular FormulaC24H21Cl2NO3
Molecular Weight442.34 g/mol
Exact Mass441.09
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C24H21Cl2NO3/c1-16-14-19(10-11-21(16)26)30-13-5-8-23(28)27-22-12-9-18(25)15-20(22)24(29)17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,27,28)
InChIKeyRMPKYWRYZFUPFN-UHFFFAOYSA-N
XLogP6.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.34
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide (CID 19191287) is N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide is Cc1cc(OCCCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide?
The InChIKey is RMPKYWRYZFUPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO3/c1-16-14-19(10-11-21(16)26)30-13-5-8-23(28)27-22-12-9-18(25)15-20(22)24(29)17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,27,28).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide?
N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide has a molecular weight of 442.34 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide is sourced from PubChem (CID 19191287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).