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

C22H16Cl2N2O3 — CID 3996147

IUPACN-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1
InChIInChI=1S/C22H16Cl2N2O3/c1-13-2-6-16(7-3-13)28-12-21(27)25-18-10-14(4-8-17(18)24)22-26-19-11-15(23)5-9-20(19)29-22/h2-11H,12H2,1H3,(H,25,27)
InChIKeyCVXIPTLVLVVFFX-UHFFFAOYSA-N
MW427.29 g/mol
LogP6.13
Rot. Bonds5

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

N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 3996147) has the molecular formula C22H16Cl2N2O3 and a molecular weight of 427.29 g/mol. Its IUPAC name is N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
PubChem CID3996147
Molecular FormulaC22H16Cl2N2O3
Molecular Weight427.29 g/mol
Exact Mass426.05
IUPAC NameN-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1
InChIInChI=1S/C22H16Cl2N2O3/c1-13-2-6-16(7-3-13)28-12-21(27)25-18-10-14(4-8-17(18)24)22-26-19-11-15(23)5-9-20(19)29-22/h2-11H,12H2,1H3,(H,25,27)
InChIKeyCVXIPTLVLVVFFX-UHFFFAOYSA-N
XLogP6.13
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3502962
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 23847828
2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 23096495
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2271656
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1333954
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 3646973
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17110485
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 1160093
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 17110571
N-[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 23821049
2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 22782318
2-(4-bromophenoxy)-N-[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-chlorophenyl]acetamide
CID 2067139

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide (CID 3996147) is N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1.
What is the InChIKey of N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is CVXIPTLVLVVFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3/c1-13-2-6-16(7-3-13)28-12-21(27)25-18-10-14(4-8-17(18)24)22-26-19-11-15(23)5-9-20(19)29-22/h2-11H,12H2,1H3,(H,25,27).
What are the key properties of N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide?
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 427.29 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 3996147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).