N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide

C14H10Cl2N4O2 — CID 169326047

IUPACN-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(Cl)cc(N=[N+]=[N-])cc2Cl)cc1
InChIInChI=1S/C14H10Cl2N4O2/c1-8(21)18-9-2-4-11(5-3-9)22-14-12(15)6-10(19-20-17)7-13(14)16/h2-7H,1H3,(H,18,21)
InChIKeyLDRFPUXUZMXHLR-UHFFFAOYSA-N
MW337.17 g/mol
LogP5.69
Rot. Bonds4

About N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide

N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide (PubChem CID 169326047) has the molecular formula C14H10Cl2N4O2 and a molecular weight of 337.17 g/mol. Its IUPAC name is N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide
PubChem CID169326047
Molecular FormulaC14H10Cl2N4O2
Molecular Weight337.17 g/mol
Exact Mass336.02
IUPAC NameN-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(Cl)cc(N=[N+]=[N-])cc2Cl)cc1
InChIInChI=1S/C14H10Cl2N4O2/c1-8(21)18-9-2-4-11(5-3-9)22-14-12(15)6-10(19-20-17)7-13(14)16/h2-7H,1H3,(H,18,21)
InChIKeyLDRFPUXUZMXHLR-UHFFFAOYSA-N
XLogP5.69
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.17
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide
CID 169354745
N-(4-azidophenyl)acetamide
CID 4315161
methyl N-(4-azidophenyl)carbamate
CID 142621312
N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide
CID 154601791
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
N-(3-deuterio-4-methoxyphenyl)acetamide
CID 165008373
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
N-(5-azido-2-methoxyphenyl)acetamide
CID 151085292
N-[4-(3,4-dichlorophenoxy)phenyl]carbamate
CID 23451749
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-[4-[(6-chloro-2-methyl-3-pyridinyl)oxy]phenyl]acetamide
CID 82225235
methyl 2-[[2-[3,5-dichloro-4-[4-(2-methylpropanoylamino)phenoxy]phenyl]acetyl]amino]acetate
CID 69423892

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide?
The IUPAC name of N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide (CID 169326047) is N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide is CC(=O)Nc1ccc(Oc2c(Cl)cc(N=[N+]=[N-])cc2Cl)cc1.
What is the InChIKey of N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide?
The InChIKey is LDRFPUXUZMXHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2/c1-8(21)18-9-2-4-11(5-3-9)22-14-12(15)6-10(19-20-17)7-13(14)16/h2-7H,1H3,(H,18,21).
What are the key properties of N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide?
N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide has a molecular weight of 337.17 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide is sourced from PubChem (CID 169326047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).