N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide

C17H15ClN2O2 — CID 110790940

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1ccc2ncoc2c1
InChIInChI=1S/C17H15ClN2O2/c18-14-4-1-12(2-5-14)10-17(21)19-8-7-13-3-6-15-16(9-13)22-11-20-15/h1-6,9,11H,7-8,10H2,(H,19,21)
InChIKeyDAFQJEDTZOVQGW-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide

N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 110790940) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
PubChem CID110790940
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1ccc2ncoc2c1
InChIInChI=1S/C17H15ClN2O2/c18-14-4-1-12(2-5-14)10-17(21)19-8-7-13-3-6-15-16(9-13)22-11-20-15/h1-6,9,11H,7-8,10H2,(H,19,21)
InChIKeyDAFQJEDTZOVQGW-UHFFFAOYSA-N
XLogP3.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
CID 110790949
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110790983
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110796037
4-[2-(1,3-benzoxazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 115163729
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110796038
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide
CID 110790910
3-amino-N-[2-(1,3-benzoxazol-6-yl)ethyl]butanamide
CID 115154356
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110796039
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110707405
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796048
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-chlorobenzamide
CID 110707375

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide (CID 110790940) is N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCCc1ccc2ncoc2c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is DAFQJEDTZOVQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-14-4-1-12(2-5-14)10-17(21)19-8-7-13-3-6-15-16(9-13)22-11-20-15/h1-6,9,11H,7-8,10H2,(H,19,21).
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide?
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 314.77 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 110790940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).