4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide

C20H21Cl2NO3 — CID 100686130

IUPAC4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1
InChIInChI=1S/C20H21Cl2NO3/c1-2-26-16-6-4-15(5-7-16)23-19(24)20(9-11-25-12-10-20)17-8-3-14(21)13-18(17)22/h3-8,13H,2,9-12H2,1H3,(H,23,24)
InChIKeySRWAACVCKGYOLW-UHFFFAOYSA-N
MW394.30 g/mol
LogP5.08
Rot. Bonds5

About 4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide

4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide (PubChem CID 100686130) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide
PubChem CID100686130
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1
InChIInChI=1S/C20H21Cl2NO3/c1-2-26-16-6-4-15(5-7-16)23-19(24)20(9-11-25-12-10-20)17-8-3-14(21)13-18(17)22/h3-8,13H,2,9-12H2,1H3,(H,23,24)
InChIKeySRWAACVCKGYOLW-UHFFFAOYSA-N
XLogP5.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.30
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
CID 100686190
4-(2,4-dichlorophenyl)-N-[4-[3-(diethylamino)propoxy]phenyl]oxane-4-carboxamide
CID 100686480
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
ethyl 5-[[4-(2,4-dichlorophenyl)oxane-4-carbonyl]amino]-2-propoxybenzoate
CID 100749887
N-(6-butoxy-5-methyl-3-pyridinyl)-4-(2,4-dichlorophenyl)oxane-4-carboxamide
CID 100773065
4-(2,4-dichlorophenyl)-N-(4-methoxy-3-methylphenyl)oxane-4-carboxamide
CID 95163453
N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100668194
1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100677257
1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 100668010
N-(2-cyano-4-propoxyphenyl)-4-(2,4-dichlorophenyl)oxane-4-carboxamide
CID 100749973
4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
CID 100685761

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide (CID 100686130) is 4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide is CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide?
The InChIKey is SRWAACVCKGYOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c1-2-26-16-6-4-15(5-7-16)23-19(24)20(9-11-25-12-10-20)17-8-3-14(21)13-18(17)22/h3-8,13H,2,9-12H2,1H3,(H,23,24).
What are the key properties of 4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide?
4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 5.08, 5 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-ethoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100686130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).