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

C17H15ClN2O2 — CID 110711846

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCCc1nc2ccccc2o1
InChIInChI=1S/C17H15ClN2O2/c18-13-5-3-4-12(10-13)11-16(21)19-9-8-17-20-14-6-1-2-7-15(14)22-17/h1-7,10H,8-9,11H2,(H,19,21)
InChIKeySZHNBJUYCDHDTB-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.38
Rot. Bonds5

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

N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide (PubChem CID 110711846) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
PubChem CID110711846
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCCc1nc2ccccc2o1
InChIInChI=1S/C17H15ClN2O2/c18-13-5-3-4-12(10-13)11-16(21)19-9-8-17-20-14-6-1-2-7-15(14)22-17/h1-7,10H,8-9,11H2,(H,19,21)
InChIKeySZHNBJUYCDHDTB-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-2-yl)ethyl]-2-phenylacetamide
CID 110711803
N-[2-(6-hydroxy-1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 57136713
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831
N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide
CID 9428049
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110790983
2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089650
N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773172
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 9427574
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide
CID 90652781
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide (CID 110711846) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)NCCc1nc2ccccc2o1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide?
The InChIKey is SZHNBJUYCDHDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-13-5-3-4-12(10-13)11-16(21)19-9-8-17-20-14-6-1-2-7-15(14)22-17/h1-7,10H,8-9,11H2,(H,19,21).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-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-2-yl)ethyl]-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 110711846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).