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

C22H15Cl3N2O3 — CID 2271656

IUPACN-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(Cl)cc4Cl)c3)nc2c1
InChIInChI=1S/C22H15Cl3N2O3/c1-12-2-6-20-18(8-12)27-22(30-20)13-3-5-15(24)17(9-13)26-21(28)11-29-19-7-4-14(23)10-16(19)25/h2-10H,11H2,1H3,(H,26,28)
InChIKeyWIAQIVJDPYEYPZ-UHFFFAOYSA-N
MW461.73 g/mol
LogP6.78
Rot. Bonds5

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

N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 2271656) has the molecular formula C22H15Cl3N2O3 and a molecular weight of 461.73 g/mol. Its IUPAC name is N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID2271656
Molecular FormulaC22H15Cl3N2O3
Molecular Weight461.73 g/mol
Exact Mass460.01
IUPAC NameN-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(Cl)cc4Cl)c3)nc2c1
InChIInChI=1S/C22H15Cl3N2O3/c1-12-2-6-20-18(8-12)27-22(30-20)13-3-5-15(24)17(9-13)26-21(28)11-29-19-7-4-14(23)10-16(19)25/h2-10H,11H2,1H3,(H,26,28)
InChIKeyWIAQIVJDPYEYPZ-UHFFFAOYSA-N
XLogP6.78
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.73
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17110485
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3996147
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3502962
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 3386138
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 3646973
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1333954
3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
CID 2911706
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 23847828
5-chloro-N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 2284680
N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide;hydrate
CID 21211864
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 5010027
N-[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 23821049

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide (CID 2271656) is N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide is Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(Cl)cc4Cl)c3)nc2c1.
What is the InChIKey of N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is WIAQIVJDPYEYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3N2O3/c1-12-2-6-20-18(8-12)27-22(30-20)13-3-5-15(24)17(9-13)26-21(28)11-29-19-7-4-14(23)10-16(19)25/h2-10H,11H2,1H3,(H,26,28).
What are the key properties of N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 461.73 g/mol, XLogP of 6.78, 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-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 2271656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).