N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C15H11Cl2N3O3 — CID 55450997

IUPACN-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESNc1c(Cl)cc(NC(=O)Cn2c(=O)oc3ccccc32)cc1Cl
InChIInChI=1S/C15H11Cl2N3O3/c16-9-5-8(6-10(17)14(9)18)19-13(21)7-20-11-3-1-2-4-12(11)23-15(20)22/h1-6H,7,18H2,(H,19,21)
InChIKeyLBJJBMLFDPSWLZ-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.12
Rot. Bonds3

About N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 55450997) has the molecular formula C15H11Cl2N3O3 and a molecular weight of 352.18 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID55450997
Molecular FormulaC15H11Cl2N3O3
Molecular Weight352.18 g/mol
Exact Mass351.02
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESNc1c(Cl)cc(NC(=O)Cn2c(=O)oc3ccccc32)cc1Cl
InChIInChI=1S/C15H11Cl2N3O3/c16-9-5-8(6-10(17)14(9)18)19-13(21)7-20-11-3-1-2-4-12(11)23-15(20)22/h1-6H,7,18H2,(H,19,21)
InChIKeyLBJJBMLFDPSWLZ-UHFFFAOYSA-N
XLogP3.12
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
methyl 2-chloro-5-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzoate
CID 38238411
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
N-dibenzofuran-3-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2961461
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1293188
N-(2-chloro-4-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886699
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide
CID 46528508
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2114683
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7580962
N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1081528
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2579264
N-tert-butyl-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 15991852

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 55450997) is N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Nc1c(Cl)cc(NC(=O)Cn2c(=O)oc3ccccc32)cc1Cl.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is LBJJBMLFDPSWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3/c16-9-5-8(6-10(17)14(9)18)19-13(21)7-20-11-3-1-2-4-12(11)23-15(20)22/h1-6H,7,18H2,(H,19,21).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 352.18 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 55450997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).