N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide

C21H14Cl2N2O2 — CID 18225429

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C21H14Cl2N2O2/c22-15-8-5-14(17(23)12-15)11-20(26)24-16-9-6-13(7-10-16)21-25-18-3-1-2-4-19(18)27-21/h1-10,12H,11H2,(H,24,26)
InChIKeyJGQKUAZMVDMVGS-UHFFFAOYSA-N
MW397.26 g/mol
LogP5.98
Rot. Bonds4

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

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide (PubChem CID 18225429) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide
PubChem CID18225429
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C21H14Cl2N2O2/c22-15-8-5-14(17(23)12-15)11-20(26)24-16-9-6-13(7-10-16)21-25-18-3-1-2-4-19(18)27-21/h1-10,12H,11H2,(H,24,26)
InChIKeyJGQKUAZMVDMVGS-UHFFFAOYSA-N
XLogP5.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 41489839
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 1331218
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2200168
2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 41107745
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 24599401
5-[4-(1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid
CID 763458
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848128
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 18284969
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838774

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide (CID 18225429) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide?
The InChIKey is JGQKUAZMVDMVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c22-15-8-5-14(17(23)12-15)11-20(26)24-16-9-6-13(7-10-16)21-25-18-3-1-2-4-19(18)27-21/h1-10,12H,11H2,(H,24,26).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide has a molecular weight of 397.26 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 18225429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).