3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide

C16H15BrN2O3 — CID 51220288

IUPAC3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NOCc1ccccc1
InChIInChI=1S/C16H15BrN2O3/c17-14-8-4-7-13(9-14)16(21)18-10-15(20)19-22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,18,21)(H,19,20)
InChIKeyQVPUBMUJMAKSEE-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.43
Rot. Bonds6

About 3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide

3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide (PubChem CID 51220288) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
PubChem CID51220288
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NOCc1ccccc1
InChIInChI=1S/C16H15BrN2O3/c17-14-8-4-7-13(9-14)16(21)18-10-15(20)19-22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,18,21)(H,19,20)
InChIKeyQVPUBMUJMAKSEE-UHFFFAOYSA-N
XLogP2.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
CID 51220295
(3-carbamoylphenyl)methyl 2-[(3-bromobenzoyl)amino]acetate
CID 55634531
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365
2-methyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
CID 51220307
N-[2-(3-aminopropylamino)-2-oxoethyl]-3-bromobenzamide
CID 119405892
3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide
CID 27828795
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849
3-bromo-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387812
(4-cyanophenyl)methyl 2-[(3-bromobenzoyl)amino]acetate
CID 31177127
4-bromo-N-phenylmethoxybenzamide
CID 41450559

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide (CID 51220288) is 3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)NOCc1ccccc1.
What is the InChIKey of 3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide?
The InChIKey is QVPUBMUJMAKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c17-14-8-4-7-13(9-14)16(21)18-10-15(20)19-22-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,18,21)(H,19,20).
What are the key properties of 3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide?
3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide has a molecular weight of 363.21 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide is sourced from PubChem (CID 51220288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).