N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide

C24H22ClN3O6 — CID 166174200

IUPACN-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(-c2cc(NC(C)=O)cc(Oc3ccc(NC(C)=O)c(Cl)c3)c2O)c1
InChIInChI=1S/C24H22ClN3O6/c1-12(29)26-15-4-7-22(32)18(8-15)19-9-16(27-13(2)30)10-23(24(19)33)34-17-5-6-21(20(25)11-17)28-14(3)31/h4-11,32-33H,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyCFNGOXKFBVZFDW-UHFFFAOYSA-N
MW483.91 g/mol
LogP5.09
Rot. Bonds6

About N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide

N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide (PubChem CID 166174200) has the molecular formula C24H22ClN3O6 and a molecular weight of 483.91 g/mol. Its IUPAC name is N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide
PubChem CID166174200
Molecular FormulaC24H22ClN3O6
Molecular Weight483.91 g/mol
Exact Mass483.12
IUPAC NameN-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(-c2cc(NC(C)=O)cc(Oc3ccc(NC(C)=O)c(Cl)c3)c2O)c1
InChIInChI=1S/C24H22ClN3O6/c1-12(29)26-15-4-7-22(32)18(8-15)19-9-16(27-13(2)30)10-23(24(19)33)34-17-5-6-21(20(25)11-17)28-14(3)31/h4-11,32-33H,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyCFNGOXKFBVZFDW-UHFFFAOYSA-N
XLogP5.09
TPSA136.99 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.91
LogP ≤ 55.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-(4-acetamido-3-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 25470533
N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide
CID 154601791
N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
CID 43167983
N-[2-[4-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62946547
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate
CID 79349658
4-acetamido-3-chlorobenzoate
CID 6920708
N-[4-(3,4-dichlorophenoxy)phenyl]carbamate
CID 23451749
N-[3-(5-chloro-2-hydroxyphenyl)phenyl]acetamide
CID 134858754
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide?
The IUPAC name of N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide (CID 166174200) is N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide?
The canonical SMILES for N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide is CC(=O)Nc1ccc(O)c(-c2cc(NC(C)=O)cc(Oc3ccc(NC(C)=O)c(Cl)c3)c2O)c1.
What is the InChIKey of N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide?
The InChIKey is CFNGOXKFBVZFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O6/c1-12(29)26-15-4-7-22(32)18(8-15)19-9-16(27-13(2)30)10-23(24(19)33)34-17-5-6-21(20(25)11-17)28-14(3)31/h4-11,32-33H,1-3H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide?
N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide has a molecular weight of 483.91 g/mol, XLogP of 5.09, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide is sourced from PubChem (CID 166174200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).