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

C16H13ClN2O2 — CID 110790949

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
SMILESO=C(NCCc1ccc2ncoc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-13-4-2-12(3-5-13)16(20)18-8-7-11-1-6-14-15(9-11)21-10-19-14/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyWAFRRQQZMXXFDS-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.45
Rot. Bonds4

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

N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide (PubChem CID 110790949) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
PubChem CID110790949
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
SMILESO=C(NCCc1ccc2ncoc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-13-4-2-12(3-5-13)16(20)18-8-7-11-1-6-14-15(9-11)21-10-19-14/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyWAFRRQQZMXXFDS-UHFFFAOYSA-N
XLogP3.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110790940
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-chlorobenzamide
CID 110707375
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796048
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110790983
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110796039
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide
CID 110796046
N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765059
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765045
4-[2-(1,3-benzoxazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 115163729
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
CID 110707351
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide (CID 110790949) is N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide is O=C(NCCc1ccc2ncoc2c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide?
The InChIKey is WAFRRQQZMXXFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-13-4-2-12(3-5-13)16(20)18-8-7-11-1-6-14-15(9-11)21-10-19-14/h1-6,9-10H,7-8H2,(H,18,20).
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide?
N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide has a molecular weight of 300.75 g/mol, XLogP of 3.45, 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-6-yl)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 110790949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).