N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide

C24H21Cl2NO3 — CID 19645114

IUPACN-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(OC(CCCl)C(=O)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H21Cl2NO3/c1-16-5-7-18(8-6-16)24(29)27-20-3-2-4-21(15-20)30-22(13-14-25)23(28)17-9-11-19(26)12-10-17/h2-12,15,22H,13-14H2,1H3,(H,27,29)
InChIKeyHRIYLHZHVXMORN-UHFFFAOYSA-N
MW442.34 g/mol
LogP6.16
Rot. Bonds8

About N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide

N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide (PubChem CID 19645114) has the molecular formula C24H21Cl2NO3 and a molecular weight of 442.34 g/mol. Its IUPAC name is N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide
PubChem CID19645114
Molecular FormulaC24H21Cl2NO3
Molecular Weight442.34 g/mol
Exact Mass441.09
IUPAC NameN-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(OC(CCCl)C(=O)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H21Cl2NO3/c1-16-5-7-18(8-6-16)24(29)27-20-3-2-4-21(15-20)30-22(13-14-25)23(28)17-9-11-19(26)12-10-17/h2-12,15,22H,13-14H2,1H3,(H,27,29)
InChIKeyHRIYLHZHVXMORN-UHFFFAOYSA-N
XLogP6.16
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 ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645108
4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
CID 19645089
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
4-chloro-N-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate
CID 126188615
4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide
CID 19645276
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645063
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide (CID 19645114) is N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(OC(CCCl)C(=O)c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide?
The InChIKey is HRIYLHZHVXMORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO3/c1-16-5-7-18(8-6-16)24(29)27-20-3-2-4-21(15-20)30-22(13-14-25)23(28)17-9-11-19(26)12-10-17/h2-12,15,22H,13-14H2,1H3,(H,27,29).
What are the key properties of N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide?
N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide has a molecular weight of 442.34 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide is sourced from PubChem (CID 19645114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).