2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide

C16H12ClFN2O3 — CID 110792066

IUPAC2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide
SMILESO=C(NCCc1ccc2[nH]c(=O)oc2c1)c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClFN2O3/c17-10-2-1-3-11(18)14(10)15(21)19-7-6-9-4-5-12-13(8-9)23-16(22)20-12/h1-5,8H,6-7H2,(H,19,21)(H,20,22)
InChIKeyBTRPXBXGVHCEPF-UHFFFAOYSA-N
MW334.73 g/mol
LogP2.89
Rot. Bonds4

About 2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide (PubChem CID 110792066) has the molecular formula C16H12ClFN2O3 and a molecular weight of 334.73 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide
PubChem CID110792066
Molecular FormulaC16H12ClFN2O3
Molecular Weight334.73 g/mol
Exact Mass334.05
IUPAC Name2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide
SMILESO=C(NCCc1ccc2[nH]c(=O)oc2c1)c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClFN2O3/c17-10-2-1-3-11(18)14(10)15(21)19-7-6-9-4-5-12-13(8-9)23-16(22)20-12/h1-5,8H,6-7H2,(H,19,21)(H,20,22)
InChIKeyBTRPXBXGVHCEPF-UHFFFAOYSA-N
XLogP2.89
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide
CID 110792059
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110792023
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 115140966
4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide
CID 110665296
N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide
CID 110796279
2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61017284
6-[2-(hydrazinylmethylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115261171
5-bromo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]furan-2-carboxamide
CID 110665271
2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537631
2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
CID 113083839

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide (CID 110792066) is 2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide is O=C(NCCc1ccc2[nH]c(=O)oc2c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide?
The InChIKey is BTRPXBXGVHCEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O3/c17-10-2-1-3-11(18)14(10)15(21)19-7-6-9-4-5-12-13(8-9)23-16(22)20-12/h1-5,8H,6-7H2,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide has a molecular weight of 334.73 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide is sourced from PubChem (CID 110792066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).