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

C16H13ClN2O3 — CID 110792059

IUPAC2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide
SMILESO=C(NCCc1ccc2[nH]c(=O)oc2c1)c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O3/c17-12-4-2-1-3-11(12)15(20)18-8-7-10-5-6-13-14(9-10)22-16(21)19-13/h1-6,9H,7-8H2,(H,18,20)(H,19,21)
InChIKeyQBKYYUFPPHYYPV-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.75
Rot. Bonds4

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

2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide (PubChem CID 110792059) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide
PubChem CID110792059
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide
SMILESO=C(NCCc1ccc2[nH]c(=O)oc2c1)c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O3/c17-12-4-2-1-3-11(12)15(20)18-8-7-10-5-6-13-14(9-10)22-16(21)19-13/h1-6,9H,7-8H2,(H,18,20)(H,19,21)
InChIKeyQBKYYUFPPHYYPV-UHFFFAOYSA-N
XLogP2.75
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide
CID 110792066
N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide
CID 110796279
2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110792023
2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 115140966
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
6-[2-(hydrazinylmethylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115261171
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide
CID 110665296
5-bromo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]furan-2-carboxamide
CID 110665271
6-[2-(2-aminoethylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115195471
3-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115162652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide (CID 110792059) is 2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide is O=C(NCCc1ccc2[nH]c(=O)oc2c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide?
The InChIKey is QBKYYUFPPHYYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c17-12-4-2-1-3-11(12)15(20)18-8-7-10-5-6-13-14(9-10)22-16(21)19-13/h1-6,9H,7-8H2,(H,18,20)(H,19,21).
What are the key properties of 2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide?
2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide has a molecular weight of 316.74 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide is sourced from PubChem (CID 110792059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).