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

C23H18Cl2N2O3 — CID 2911706

IUPAC3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N2O3/c1-3-29-20-9-6-14(11-17(20)25)22(28)26-18-12-15(5-7-16(18)24)23-27-19-10-13(2)4-8-21(19)30-23/h4-12H,3H2,1-2H3,(H,26,28)
InChIKeyVEZVWFAFLZTRKM-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.76
Rot. Bonds5

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

3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide (PubChem CID 2911706) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is 3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
PubChem CID2911706
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC Name3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N2O3/c1-3-29-20-9-6-14(11-17(20)25)22(28)26-18-12-15(5-7-16(18)24)23-27-19-10-13(2)4-8-21(19)30-23/h4-12H,3H2,1-2H3,(H,26,28)
InChIKeyVEZVWFAFLZTRKM-UHFFFAOYSA-N
XLogP6.76
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 ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-ethoxy-N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 17114979
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
CID 1361397
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2271656
4-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
CID 2286305
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
CID 21212623
3,4-dichloro-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110487
3-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide
CID 4518075
2-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23961409
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3502962
3-chloro-4-ethoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 17162544
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-methylbenzamide
CID 3923303
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-ethoxybenzamide
CID 3285885

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide?
The IUPAC name of 3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide (CID 2911706) is 3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide?
The canonical SMILES for 3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide?
The InChIKey is VEZVWFAFLZTRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c1-3-29-20-9-6-14(11-17(20)25)22(28)26-18-12-15(5-7-16(18)24)23-27-19-10-13(2)4-8-21(19)30-23/h4-12H,3H2,1-2H3,(H,26,28).
What are the key properties of 3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide?
3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide has a molecular weight of 441.31 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide is sourced from PubChem (CID 2911706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).