N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide

C22H16Cl2N2O2 — CID 2273317

IUPACN-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide
SMILESCc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C22H16Cl2N2O2/c1-13-7-8-15(22-26-19-12-16(23)11-17(24)21(19)28-22)10-18(13)25-20(27)9-14-5-3-2-4-6-14/h2-8,10-12H,9H2,1H3,(H,25,27)
InChIKeyQLJLRXIQLXOGHO-UHFFFAOYSA-N
MW411.29 g/mol
LogP6.29
Rot. Bonds4

About N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide

N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide (PubChem CID 2273317) has the molecular formula C22H16Cl2N2O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide
PubChem CID2273317
Molecular FormulaC22H16Cl2N2O2
Molecular Weight411.29 g/mol
Exact Mass410.06
IUPAC NameN-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide
SMILESCc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C22H16Cl2N2O2/c1-13-7-8-15(22-26-19-12-16(23)11-17(24)21(19)28-22)10-18(13)25-20(27)9-14-5-3-2-4-6-14/h2-8,10-12H,9H2,1H3,(H,25,27)
InChIKeyQLJLRXIQLXOGHO-UHFFFAOYSA-N
XLogP6.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide?
The IUPAC name of N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide (CID 2273317) is N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide is Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide?
The InChIKey is QLJLRXIQLXOGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2/c1-13-7-8-15(22-26-19-12-16(23)11-17(24)21(19)28-22)10-18(13)25-20(27)9-14-5-3-2-4-6-14/h2-8,10-12H,9H2,1H3,(H,25,27).
What are the key properties of N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide?
N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide has a molecular weight of 411.29 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide is sourced from PubChem (CID 2273317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).