2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide

C18H13ClN2O3 — CID 122147988

IUPAC2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cc2c(cc1Cl)CCC2=O
InChIInChI=1S/C18H13ClN2O3/c19-13-7-10-5-6-16(22)12(10)8-15(13)20-18(23)9-14-11-3-1-2-4-17(11)24-21-14/h1-4,7-8H,5-6,9H2,(H,20,23)
InChIKeyUFOJGOXJWXBMJD-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.79
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide (PubChem CID 122147988) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide
PubChem CID122147988
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cc2c(cc1Cl)CCC2=O
InChIInChI=1S/C18H13ClN2O3/c19-13-7-10-5-6-16(22)12(10)8-15(13)20-18(23)9-14-11-3-1-2-4-17(11)24-21-14/h1-4,7-8H,5-6,9H2,(H,20,23)
InChIKeyUFOJGOXJWXBMJD-UHFFFAOYSA-N
XLogP3.79
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 35532893
N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 29042375
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
2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
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
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445
2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 46480330

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide (CID 122147988) is 2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide is O=C(Cc1noc2ccccc12)Nc1cc2c(cc1Cl)CCC2=O.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide?
The InChIKey is UFOJGOXJWXBMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c19-13-7-10-5-6-16(22)12(10)8-15(13)20-18(23)9-14-11-3-1-2-4-17(11)24-21-14/h1-4,7-8H,5-6,9H2,(H,20,23).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide has a molecular weight of 340.77 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(6-chloro-3-oxo-1,2-dihydroinden-5-yl)acetamide is sourced from PubChem (CID 122147988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).