N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide

C15H10Cl2N2O3 — CID 169354745

IUPACN-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(Cl)cc(N=C=O)cc2Cl)cc1
InChIInChI=1S/C15H10Cl2N2O3/c1-9(21)19-10-2-4-12(5-3-10)22-15-13(16)6-11(18-8-20)7-14(15)17/h2-7H,1H3,(H,19,21)
InChIKeyDLFKQIUSSGYBFQ-UHFFFAOYSA-N
MW337.16 g/mol
LogP4.71
Rot. Bonds4

About N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide

N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide (PubChem CID 169354745) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide
PubChem CID169354745
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC NameN-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(Cl)cc(N=C=O)cc2Cl)cc1
InChIInChI=1S/C15H10Cl2N2O3/c1-9(21)19-10-2-4-12(5-3-10)22-15-13(16)6-11(18-8-20)7-14(15)17/h2-7H,1H3,(H,19,21)
InChIKeyDLFKQIUSSGYBFQ-UHFFFAOYSA-N
XLogP4.71
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-azido-2,6-dichlorophenoxy)phenyl]acetamide
CID 169326047
1,3-dichloro-2-(3,5-difluorophenoxy)-5-isocyanatobenzene
CID 23317077
N-[4-[3-[4-(carbamoylamino)phenyl]-4-hydroxyphenoxy]-3,5-dichlorophenyl]acetamide
CID 154601791
4-(4-isocyanatophenoxy)-N-methoxyaniline
CID 118516835
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
methyl 2-[[2-[3,5-dichloro-4-[4-(2-methylpropanoylamino)phenoxy]phenyl]acetyl]amino]acetate
CID 69423892
N-[4-(3,4-dichlorophenoxy)phenyl]carbamate
CID 23451749
N-(2-chloro-4-isocyanatophenyl)-2,2-dimethylpropanamide
CID 169354945
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-[4-[(6-chloro-2-methyl-3-pyridinyl)oxy]phenyl]acetamide
CID 82225235
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
1,3-dichloro-2-iodo-5-isocyanatobenzene
CID 139647540

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide?
The IUPAC name of N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide (CID 169354745) is N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide is CC(=O)Nc1ccc(Oc2c(Cl)cc(N=C=O)cc2Cl)cc1.
What is the InChIKey of N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide?
The InChIKey is DLFKQIUSSGYBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c1-9(21)19-10-2-4-12(5-3-10)22-15-13(16)6-11(18-8-20)7-14(15)17/h2-7H,1H3,(H,19,21).
What are the key properties of N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide?
N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide has a molecular weight of 337.16 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dichloro-4-isocyanatophenoxy)phenyl]acetamide is sourced from PubChem (CID 169354745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).