2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

C22H17ClN2O3 — CID 17131987

IUPAC2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)oc2c1
InChIInChI=1S/C22H17ClN2O3/c1-14-6-11-18-20(12-14)28-22(25-18)15-7-9-16(10-8-15)24-21(26)13-27-19-5-3-2-4-17(19)23/h2-12H,13H2,1H3,(H,24,26)
InChIKeySKQWBWVDUKXRBW-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.47
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 17131987) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID17131987
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)oc2c1
InChIInChI=1S/C22H17ClN2O3/c1-14-6-11-18-20(12-14)28-22(25-18)15-7-9-16(10-8-15)24-21(26)13-27-19-5-3-2-4-17(19)23/h2-12H,13H2,1H3,(H,24,26)
InChIKeySKQWBWVDUKXRBW-UHFFFAOYSA-N
XLogP5.47
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1231037
2-(3,5-dimethylphenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17027171
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17018342
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 2278554
2-(2,5-dimethylphenoxy)-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 4062395
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 1364476
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16581002
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1361277
2-(2-chlorophenoxy)-N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54859022
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 1026063

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 17131987) is 2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)oc2c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is SKQWBWVDUKXRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-14-6-11-18-20(12-14)28-22(25-18)15-7-9-16(10-8-15)24-21(26)13-27-19-5-3-2-4-17(19)23/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 392.84 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 17131987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).