N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide

C21H17Cl2N3O4 — CID 154601791

IUPACN-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(-c3ccc(NC(N)=O)cc3)c2)c(Cl)c1
InChIInChI=1S/C21H17Cl2N3O4/c1-11(27)25-14-8-17(22)20(18(23)9-14)30-15-6-7-19(28)16(10-15)12-2-4-13(5-3-12)26-21(24)29/h2-10,28H,1H3,(H,25,27)(H3,24,26,29)
InChIKeyWDSSSKWESZOFRG-UHFFFAOYSA-N
MW446.29 g/mol
LogP5.61
Rot. Bonds5

About N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide

N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide (PubChem CID 154601791) has the molecular formula C21H17Cl2N3O4 and a molecular weight of 446.29 g/mol. Its IUPAC name is N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide
PubChem CID154601791
Molecular FormulaC21H17Cl2N3O4
Molecular Weight446.29 g/mol
Exact Mass445.06
IUPAC NameN-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(-c3ccc(NC(N)=O)cc3)c2)c(Cl)c1
InChIInChI=1S/C21H17Cl2N3O4/c1-11(27)25-14-8-17(22)20(18(23)9-14)30-15-6-7-19(28)16(10-15)12-2-4-13(5-3-12)26-21(24)29/h2-10,28H,1H3,(H,25,27)(H3,24,26,29)
InChIKeyWDSSSKWESZOFRG-UHFFFAOYSA-N
XLogP5.61
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.29
LogP ≤ 55.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide with MolForge

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Related Compounds

3-[5-[2,6-dichloro-4-(propanoylamino)phenoxy]-2-hydroxyphenyl]benzamide
CID 127051934
N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide
CID 169326047
N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide
CID 169354745
methyl 3-[4-[4-hydroxy-3-(4-methylphenyl)phenoxy]-3,5-dimethylanilino]-3-oxopropanoate
CID 69260442
N-[3-[5-acetamido-3-(4-acetamido-3-chlorophenoxy)-2-hydroxyphenyl]-4-hydroxyphenyl]acetamide
CID 166174200
N-[3,5-dichloro-4-[4-hydroxy-3-[(4-methylphenyl)methyl]phenoxy]phenyl]-N'-hydroxyoxamide
CID 129210822
methyl 3-[4-[3-(butylsulfamoyl)-4-hydroxyphenoxy]-3,5-dichloroanilino]-3-oxopropanoate
CID 142657581
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
N-[3-(5-chloro-2-hydroxyphenyl)phenyl]acetamide
CID 134858754
[4-(4-acetylphenoxy)phenyl]urea
CID 57193509
3-[4-[3-(2,4-dichlorophenyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid
CID 22344938
N-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]-N-[2-(hydroxyamino)-2-oxoethyl]benzamide
CID 87573440

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide (CID 154601791) is N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide is CC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(-c3ccc(NC(N)=O)cc3)c2)c(Cl)c1.
What is the InChIKey of N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide?
The InChIKey is WDSSSKWESZOFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O4/c1-11(27)25-14-8-17(22)20(18(23)9-14)30-15-6-7-19(28)16(10-15)12-2-4-13(5-3-12)26-21(24)29/h2-10,28H,1H3,(H,25,27)(H3,24,26,29).
What are the key properties of N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide?
N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide has a molecular weight of 446.29 g/mol, XLogP of 5.61, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide is sourced from PubChem (CID 154601791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).