N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide

C15H12ClN3O2 — CID 29042375

IUPACN-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide
SMILESNc1ccc(NC(=O)Cc2noc3ccccc23)c(Cl)c1
InChIInChI=1S/C15H12ClN3O2/c16-11-7-9(17)5-6-12(11)18-15(20)8-13-10-3-1-2-4-14(10)21-19-13/h1-7H,8,17H2,(H,18,20)
InChIKeyBOPLZTQUGXWGOA-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.24
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide

N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide (PubChem CID 29042375) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide
PubChem CID29042375
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide
SMILESNc1ccc(NC(=O)Cc2noc3ccccc23)c(Cl)c1
InChIInChI=1S/C15H12ClN3O2/c16-11-7-9(17)5-6-12(11)18-15(20)8-13-10-3-1-2-4-14(10)21-19-13/h1-7H,8,17H2,(H,18,20)
InChIKeyBOPLZTQUGXWGOA-UHFFFAOYSA-N
XLogP3.24
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 35532893
2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide
CID 122147988
2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide
CID 81260654
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813
2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide
CID 1235388
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719
2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 87006319
2-(1,2-benzoxazol-3-yl)-N-(2H-triazol-4-yl)acetamide
CID 155949741
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide
CID 102820520

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide (CID 29042375) is N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide is Nc1ccc(NC(=O)Cc2noc3ccccc23)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide?
The InChIKey is BOPLZTQUGXWGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-11-7-9(17)5-6-12(11)18-15(20)8-13-10-3-1-2-4-14(10)21-19-13/h1-7H,8,17H2,(H,18,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide?
N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide has a molecular weight of 301.73 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 29042375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).