N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide

C17H14BrClN2O2 — CID 91683717

IUPACN-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide
SMILESCCc1ccc2oc(-c3ccc(Br)c(NC(=O)CCl)c3)nc2c1
InChIInChI=1S/C17H14BrClN2O2/c1-2-10-3-6-15-14(7-10)21-17(23-15)11-4-5-12(18)13(8-11)20-16(22)9-19/h3-8H,2,9H2,1H3,(H,20,22)
InChIKeyCUSSBYBLSATONX-UHFFFAOYSA-N
MW393.67 g/mol
LogP5.00
Rot. Bonds4

About N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide

N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide (PubChem CID 91683717) has the molecular formula C17H14BrClN2O2 and a molecular weight of 393.67 g/mol. Its IUPAC name is N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide
PubChem CID91683717
Molecular FormulaC17H14BrClN2O2
Molecular Weight393.67 g/mol
Exact Mass391.99
IUPAC NameN-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide
SMILESCCc1ccc2oc(-c3ccc(Br)c(NC(=O)CCl)c3)nc2c1
InChIInChI=1S/C17H14BrClN2O2/c1-2-10-3-6-15-14(7-10)21-17(23-15)11-4-5-12(18)13(8-11)20-16(22)9-19/h3-8H,2,9H2,1H3,(H,20,22)
InChIKeyCUSSBYBLSATONX-UHFFFAOYSA-N
XLogP5.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1362782
2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
CID 91683703
4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 23733257
2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658136
N-[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 23821049
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
2-chloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683555
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334885
N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1362957
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 17100843
(E)-N-[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
CID 21167236

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide?
The IUPAC name of N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide (CID 91683717) is N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide.
What is the SMILES notation for N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide?
The canonical SMILES for N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide is CCc1ccc2oc(-c3ccc(Br)c(NC(=O)CCl)c3)nc2c1.
What is the InChIKey of N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide?
The InChIKey is CUSSBYBLSATONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O2/c1-2-10-3-6-15-14(7-10)21-17(23-15)11-4-5-12(18)13(8-11)20-16(22)9-19/h3-8H,2,9H2,1H3,(H,20,22).
What are the key properties of N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide?
N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide has a molecular weight of 393.67 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide is sourced from PubChem (CID 91683717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).