2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide

C22H26ClNO5 — CID 154991211

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide
SMILESCCN(CC(O)CO)C(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H26ClNO5/c1-4-24(13-18(26)14-25)21(28)22(2,3)29-19-11-7-16(8-12-19)20(27)15-5-9-17(23)10-6-15/h5-12,18,25-26H,4,13-14H2,1-3H3
InChIKeyWWLYQWFDUWSBDF-UHFFFAOYSA-N
MW419.91 g/mol
LogP2.93
Rot. Bonds9

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide (PubChem CID 154991211) has the molecular formula C22H26ClNO5 and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide
PubChem CID154991211
Molecular FormulaC22H26ClNO5
Molecular Weight419.91 g/mol
Exact Mass419.15
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide
SMILESCCN(CC(O)CO)C(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H26ClNO5/c1-4-24(13-18(26)14-25)21(28)22(2,3)29-19-11-7-16(8-12-19)20(27)15-5-9-17(23)10-6-15/h5-12,18,25-26H,4,13-14H2,1-3H3
InChIKeyWWLYQWFDUWSBDF-UHFFFAOYSA-N
XLogP2.93
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;ethyl (2R)-2-amino-3-methylbutanoate
CID 71696337
propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 71360491
2-(4-chlorophenoxy)-N,N-bis(cyanomethyl)-2-methylpropanamide
CID 3645295
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-hydroxyethyl)-2-methylpropanamide
CID 154646221
tert-butyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 21299693
2-(4-chlorophenoxy)-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylpropanamide
CID 43573477
(2-methylpropan-2-yl)oxycarbonyloxymethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 56666790
N-(2-aminoethyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
CID 58219036
[3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 22768000
2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 154646124
2-(4-chlorophenoxy)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylpropanamide
CID 8960675
2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 78883338

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide (CID 154991211) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide is CCN(CC(O)CO)C(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide?
The InChIKey is WWLYQWFDUWSBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO5/c1-4-24(13-18(26)14-25)21(28)22(2,3)29-19-11-7-16(8-12-19)20(27)15-5-9-17(23)10-6-15/h5-12,18,25-26H,4,13-14H2,1-3H3.
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide has a molecular weight of 419.91 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-(2,3-dihydroxypropyl)-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 154991211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).