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

C16H13BrN2O2 — CID 110711791

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide
SMILESO=C(NCCc1nc2ccccc2o1)c1ccccc1Br
InChIInChI=1S/C16H13BrN2O2/c17-12-6-2-1-5-11(12)16(20)18-10-9-15-19-13-7-3-4-8-14(13)21-15/h1-8H,9-10H2,(H,18,20)
InChIKeyZWORHFHNGGDGEL-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.56
Rot. Bonds4

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

N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide (PubChem CID 110711791) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide
PubChem CID110711791
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide
SMILESO=C(NCCc1nc2ccccc2o1)c1ccccc1Br
InChIInChI=1S/C16H13BrN2O2/c17-12-6-2-1-5-11(12)16(20)18-10-9-15-19-13-7-3-4-8-14(13)21-15/h1-8H,9-10H2,(H,18,20)
InChIKeyZWORHFHNGGDGEL-UHFFFAOYSA-N
XLogP3.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.56
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-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110475867
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110711801
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110711846
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110711850
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-hydroxyacetamide
CID 90652781
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-bromobenzohydrazide
CID 9340002
(1S,2R,4S,5R)-N-[2-(1,3-benzoxazol-2-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 119070473
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741831

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide (CID 110711791) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide is O=C(NCCc1nc2ccccc2o1)c1ccccc1Br.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide?
The InChIKey is ZWORHFHNGGDGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-12-6-2-1-5-11(12)16(20)18-10-9-15-19-13-7-3-4-8-14(13)21-15/h1-8H,9-10H2,(H,18,20).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide has a molecular weight of 345.20 g/mol, XLogP of 3.56, 4 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-bromobenzamide is sourced from PubChem (CID 110711791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).