2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide

C18H19Cl2NO5 — CID 118105355

IUPAC2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
SMILESO=C(Cc1ccccc1Oc1ccc(Cl)cc1Cl)NC(CO)(CO)CO
InChIInChI=1S/C18H19Cl2NO5/c19-13-5-6-16(14(20)8-13)26-15-4-2-1-3-12(15)7-17(25)21-18(9-22,10-23)11-24/h1-6,8,22-24H,7,9-11H2,(H,21,25)
InChIKeyHHBLLHXXQISZBH-UHFFFAOYSA-N
MW400.26 g/mol
LogP2.16
Rot. Bonds8

About 2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide

2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide (PubChem CID 118105355) has the molecular formula C18H19Cl2NO5 and a molecular weight of 400.26 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
PubChem CID118105355
Molecular FormulaC18H19Cl2NO5
Molecular Weight400.26 g/mol
Exact Mass399.06
IUPAC Name2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
SMILESO=C(Cc1ccccc1Oc1ccc(Cl)cc1Cl)NC(CO)(CO)CO
InChIInChI=1S/C18H19Cl2NO5/c19-13-5-6-16(14(20)8-13)26-15-4-2-1-3-12(15)7-17(25)21-18(9-22,10-23)11-24/h1-6,8,22-24H,7,9-11H2,(H,21,25)
InChIKeyHHBLLHXXQISZBH-UHFFFAOYSA-N
XLogP2.16
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(diethylamino)ethyl 2-[2-(2,4-dichlorophenoxy)phenyl]acetate
CID 67460438
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
N-[[2-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283282
N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide
CID 42613873
5-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63652911
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
2-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]benzoic acid
CID 107847575
2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid
CID 15581880
5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91588688
5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15605422
N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550934
2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid
CID 80742621

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The IUPAC name of 2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide (CID 118105355) is 2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The canonical SMILES for 2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide is O=C(Cc1ccccc1Oc1ccc(Cl)cc1Cl)NC(CO)(CO)CO.
What is the InChIKey of 2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The InChIKey is HHBLLHXXQISZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO5/c19-13-5-6-16(14(20)8-13)26-15-4-2-1-3-12(15)7-17(25)21-18(9-22,10-23)11-24/h1-6,8,22-24H,7,9-11H2,(H,21,25).
What are the key properties of 2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide has a molecular weight of 400.26 g/mol, XLogP of 2.16, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide is sourced from PubChem (CID 118105355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).