N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide

C17H17Cl2NO4 — CID 51725545

IUPACN-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO4/c1-11(21)20-13-3-5-15(6-4-13)23-9-14(22)10-24-17-8-12(18)2-7-16(17)19/h2-8,14,22H,9-10H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyRLUXIQDZXFSLAX-CQSZACIVSA-N
MW370.23 g/mol
LogP3.77
Rot. Bonds7

About N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide

N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 51725545) has the molecular formula C17H17Cl2NO4 and a molecular weight of 370.23 g/mol. Its IUPAC name is N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
PubChem CID51725545
Molecular FormulaC17H17Cl2NO4
Molecular Weight370.23 g/mol
Exact Mass369.05
IUPAC NameN-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@@H](O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO4/c1-11(21)20-13-3-5-15(6-4-13)23-9-14(22)10-24-17-8-12(18)2-7-16(17)19/h2-8,14,22H,9-10H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyRLUXIQDZXFSLAX-CQSZACIVSA-N
XLogP3.77
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 51725544
N-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]acetamide
CID 51139075
N-[4-[3-(4-ethylphenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 42958085
N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 55665529
N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide
CID 17430448
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 9159109
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol
CID 63488455
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide (CID 51725545) is N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@@H](O)COc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is RLUXIQDZXFSLAX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17Cl2NO4/c1-11(21)20-13-3-5-15(6-4-13)23-9-14(22)10-24-17-8-12(18)2-7-16(17)19/h2-8,14,22H,9-10H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide?
N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 370.23 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 51725545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).