N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide

C22H19Cl2NO3 — CID 71459611

IUPACN-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide
SMILESCOc1cccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3cccc(OC)c3)c2)c1
InChIInChI=1S/C22H19Cl2NO3/c1-27-19-7-3-5-14(12-19)16-9-17(15-6-4-8-20(13-15)28-2)11-18(10-16)25-22(26)21(23)24/h3-13,21H,1-2H3,(H,25,26)
InChIKeyWGLKVMJZOOUIKK-UHFFFAOYSA-N
MW416.30 g/mol
LogP5.78
Rot. Bonds6

About N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide

N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide (PubChem CID 71459611) has the molecular formula C22H19Cl2NO3 and a molecular weight of 416.30 g/mol. Its IUPAC name is N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide.

Molecular Properties

Compound NameN-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide
PubChem CID71459611
Molecular FormulaC22H19Cl2NO3
Molecular Weight416.30 g/mol
Exact Mass415.07
IUPAC NameN-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide
SMILESCOc1cccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3cccc(OC)c3)c2)c1
InChIInChI=1S/C22H19Cl2NO3/c1-27-19-7-3-5-14(12-19)16-9-17(15-6-4-8-20(13-15)28-2)11-18(10-16)25-22(26)21(23)24/h3-13,21H,1-2H3,(H,25,26)
InChIKeyWGLKVMJZOOUIKK-UHFFFAOYSA-N
XLogP5.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.30
LogP ≤ 55.78
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

2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
3-benzamido-5-(3-methoxyphenyl)benzoic acid
CID 171782860
2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide
CID 840731
1-ethyl-3-[3-(3-methoxyphenyl)phenyl]urea
CID 18977622
2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
CID 10036152
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide?
The IUPAC name of N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide (CID 71459611) is N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide.
What is the SMILES notation for N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide?
The canonical SMILES for N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide is COc1cccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3cccc(OC)c3)c2)c1.
What is the InChIKey of N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide?
The InChIKey is WGLKVMJZOOUIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO3/c1-27-19-7-3-5-14(12-19)16-9-17(15-6-4-8-20(13-15)28-2)11-18(10-16)25-22(26)21(23)24/h3-13,21H,1-2H3,(H,25,26).
What are the key properties of N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide?
N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide has a molecular weight of 416.30 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide is sourced from PubChem (CID 71459611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).