4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide

C22H25Cl2NO3 — CID 100686190

IUPAC4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1
InChIInChI=1S/C22H25Cl2NO3/c1-15(2)14-28-18-6-4-17(5-7-18)25-21(26)22(9-11-27-12-10-22)19-8-3-16(23)13-20(19)24/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26)
InChIKeyINRUIQSWONYPSG-UHFFFAOYSA-N
MW422.35 g/mol
LogP5.72
Rot. Bonds6

About 4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide

4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide (PubChem CID 100686190) has the molecular formula C22H25Cl2NO3 and a molecular weight of 422.35 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
PubChem CID100686190
Molecular FormulaC22H25Cl2NO3
Molecular Weight422.35 g/mol
Exact Mass421.12
IUPAC Name4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1
InChIInChI=1S/C22H25Cl2NO3/c1-15(2)14-28-18-6-4-17(5-7-18)25-21(26)22(9-11-27-12-10-22)19-8-3-16(23)13-20(19)24/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26)
InChIKeyINRUIQSWONYPSG-UHFFFAOYSA-N
XLogP5.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.35
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide
CID 100686130
methyl 5-[[4-(2,4-dichlorophenyl)oxane-4-carbonyl]amino]-2-(2-methylpropoxy)benzoate
CID 100749856
4-(2,4-dichlorophenyl)-N-[4-[3-(diethylamino)propoxy]phenyl]oxane-4-carboxamide
CID 100686480
4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
CID 100682348
4-(2,4-dichlorophenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]oxane-4-carboxamide
CID 100686326
4-(2,4-dichlorophenyl)-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 100686497
N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-4-(2,4-dichlorophenyl)oxane-4-carboxamide
CID 100686861
N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(2,4-dichlorophenyl)oxane-4-carboxamide
CID 133245793
4-(2-chlorophenyl)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
CID 100685136
4-(2,4-dichlorophenyl)-N-(4-methoxy-3-methylphenyl)oxane-4-carboxamide
CID 95163453
N-[2-cyano-4-(2-methylpropoxy)phenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100743914
methyl 2-butan-2-yloxy-5-[[4-(2,4-dichlorophenyl)oxane-4-carbonyl]amino]benzoate
CID 133229655

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide (CID 100686190) is 4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide is CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide?
The InChIKey is INRUIQSWONYPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2NO3/c1-15(2)14-28-18-6-4-17(5-7-18)25-21(26)22(9-11-27-12-10-22)19-8-3-16(23)13-20(19)24/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26).
What are the key properties of 4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide?
4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide has a molecular weight of 422.35 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 100686190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).