4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide

C17H15BrN2O3 — CID 110404641

IUPAC4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide
SMILESO=C(NCCC1Oc2ccccc2NC1=O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O3/c18-12-7-5-11(6-8-12)16(21)19-10-9-15-17(22)20-13-3-1-2-4-14(13)23-15/h1-8,15H,9-10H2,(H,19,21)(H,20,22)
InChIKeyUKKKTXVGKVCVRA-UHFFFAOYSA-N
MW375.22 g/mol
LogP2.97
Rot. Bonds4

About 4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide

4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide (PubChem CID 110404641) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide
PubChem CID110404641
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide
SMILESO=C(NCCC1Oc2ccccc2NC1=O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O3/c18-12-7-5-11(6-8-12)16(21)19-10-9-15-17(22)20-13-3-1-2-4-14(13)23-15/h1-8,15H,9-10H2,(H,19,21)(H,20,22)
InChIKeyUKKKTXVGKVCVRA-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]-3-phenylbenzamide
CID 110404689
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide
CID 110404630
2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide
CID 110404629
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide
CID 110404623
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]oxolane-2-carboxamide
CID 110404626
ethane;2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 90923836
2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one
CID 82111928
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9185599
methyl 4-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzoate
CID 22478824
4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404798
2-bromo-N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]benzohydrazide
CID 9037782
2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404332

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide (CID 110404641) is 4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide is O=C(NCCC1Oc2ccccc2NC1=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide?
The InChIKey is UKKKTXVGKVCVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c18-12-7-5-11(6-8-12)16(21)19-10-9-15-17(22)20-13-3-1-2-4-14(13)23-15/h1-8,15H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of 4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide?
4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide has a molecular weight of 375.22 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]benzamide is sourced from PubChem (CID 110404641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).