4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide

C16H15BrN2O3 — CID 55665561

IUPAC4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrN2O3/c17-13-3-1-2-11(8-13)9-19-15(20)10-22-14-6-4-12(5-7-14)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20)
InChIKeyHEIAOLFBQMJKCJ-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.24
Rot. Bonds6

About 4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide

4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide (PubChem CID 55665561) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide
PubChem CID55665561
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrN2O3/c17-13-3-1-2-11(8-13)9-19-15(20)10-22-14-6-4-12(5-7-14)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20)
InChIKeyHEIAOLFBQMJKCJ-UHFFFAOYSA-N
XLogP2.24
TPSA81.42 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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 60739831
4-[2-oxo-2-[[3-(phenylmethoxymethyl)phenyl]methylamino]ethoxy]benzamide
CID 60513976
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide
CID 7931631
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
N-[(3-bromophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238040
methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate
CID 7931566

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide (CID 55665561) is 4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide is NC(=O)c1ccc(OCC(=O)NCc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide?
The InChIKey is HEIAOLFBQMJKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c17-13-3-1-2-11(8-13)9-19-15(20)10-22-14-6-4-12(5-7-14)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20).
What are the key properties of 4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide?
4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide has a molecular weight of 363.21 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 55665561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).