2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide

C16H13ClN2O2 — CID 20719453

IUPAC2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)Cc2nc3ccccc3o2)c1
InChIInChI=1S/C16H13ClN2O2/c1-10-6-7-11(17)13(8-10)18-15(20)9-16-19-12-4-2-3-5-14(12)21-16/h2-8H,9H2,1H3,(H,18,20)
InChIKeyZKTXMOQIUZYJMY-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.97
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide

2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide (PubChem CID 20719453) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide
PubChem CID20719453
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)Cc2nc3ccccc3o2)c1
InChIInChI=1S/C16H13ClN2O2/c1-10-6-7-11(17)13(8-10)18-15(20)9-16-19-12-4-2-3-5-14(12)21-16/h2-8H,9H2,1H3,(H,18,20)
InChIKeyZKTXMOQIUZYJMY-UHFFFAOYSA-N
XLogP3.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide;ethyl 3-ethoxybut-3-enoate
CID 91497991
3-(1,3-benzoxazol-2-yl)-N-(3-chloro-2-methylphenyl)-2-oxopropanamide
CID 4152231
2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone
CID 43118378
2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone
CID 107989036
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-chloropropanamide
CID 3129789
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-cyanoacetamide
CID 168522165
N-(2-chloro-5-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119705341
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 55354137
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 1160093
N-(2-bromoethyl)-2-(5-methyl-1,3-benzoxazol-2-yl)acetamide
CID 54122602
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide (CID 20719453) is 2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide is Cc1ccc(Cl)c(NC(=O)Cc2nc3ccccc3o2)c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide?
The InChIKey is ZKTXMOQIUZYJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10-6-7-11(17)13(8-10)18-15(20)9-16-19-12-4-2-3-5-14(12)21-16/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide?
2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide has a molecular weight of 300.75 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide is sourced from PubChem (CID 20719453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).