2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide

C21H16ClN3O2 — CID 24738039

IUPAC2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESO=C(CNc1ccccc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C21H16ClN3O2/c22-15-8-11-19-18(12-15)25-21(27-19)14-6-9-17(10-7-14)24-20(26)13-23-16-4-2-1-3-5-16/h1-12,23H,13H2,(H,24,26)
InChIKeyUGLLCXGXZYIVQL-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.20
Rot. Bonds5

About 2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide

2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 24738039) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID24738039
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESO=C(CNc1ccccc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C21H16ClN3O2/c22-15-8-11-19-18(12-15)25-21(27-19)14-6-9-17(10-7-14)24-20(26)13-23-16-4-2-1-3-5-16/h1-12,23H,13H2,(H,24,26)
InChIKeyUGLLCXGXZYIVQL-UHFFFAOYSA-N
XLogP5.20
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 24738039) is 2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide is O=C(CNc1ccccc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is UGLLCXGXZYIVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-15-8-11-19-18(12-15)25-21(27-19)14-6-9-17(10-7-14)24-20(26)13-23-16-4-2-1-3-5-16/h1-12,23H,13H2,(H,24,26).
What are the key properties of 2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide?
2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 377.83 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 24738039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).