N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide

C23H18Cl2N2O3 — CID 17110548

IUPACN-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
SMILESCc1cc(C)c2oc(-c3cc(NC(=O)COc4ccccc4Cl)ccc3Cl)nc2c1
InChIInChI=1S/C23H18Cl2N2O3/c1-13-9-14(2)22-19(10-13)27-23(30-22)16-11-15(7-8-17(16)24)26-21(28)12-29-20-6-4-3-5-18(20)25/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyMQOANNHBAFZHBC-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.44
Rot. Bonds5

About N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide

N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide (PubChem CID 17110548) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
PubChem CID17110548
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC NameN-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
SMILESCc1cc(C)c2oc(-c3cc(NC(=O)COc4ccccc4Cl)ccc3Cl)nc2c1
InChIInChI=1S/C23H18Cl2N2O3/c1-13-9-14(2)22-19(10-13)27-23(30-22)16-11-15(7-8-17(16)24)26-21(28)12-29-20-6-4-3-5-18(20)25/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyMQOANNHBAFZHBC-UHFFFAOYSA-N
XLogP6.44
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1361277
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(2-chlorophenoxy)acetamide
CID 17117236
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 19631384
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 2278554
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 4008641
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 5229076
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 23741815
2-(4-chloro-2-methylphenoxy)-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
CID 2281645
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide
CID 17018338
4-bromo-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17318651
2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17131987
(E)-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17018330

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide (CID 17110548) is N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide is Cc1cc(C)c2oc(-c3cc(NC(=O)COc4ccccc4Cl)ccc3Cl)nc2c1.
What is the InChIKey of N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is MQOANNHBAFZHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c1-13-9-14(2)22-19(10-13)27-23(30-22)16-11-15(7-8-17(16)24)26-21(28)12-29-20-6-4-3-5-18(20)25/h3-11H,12H2,1-2H3,(H,26,28).
What are the key properties of N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 441.31 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 17110548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).