4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide

C16H13BrN2O4 — CID 7820218

IUPAC4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C=O)cc1
InChIInChI=1S/C16H13BrN2O4/c17-12-3-6-14(11(7-12)8-20)23-9-15(21)19-13-4-1-10(2-5-13)16(18)22/h1-8H,9H2,(H2,18,22)(H,19,21)
InChIKeyYJZCQGBKVIYMHZ-UHFFFAOYSA-N
MW377.19 g/mol
LogP2.38
Rot. Bonds6

About 4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide

4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide (PubChem CID 7820218) has the molecular formula C16H13BrN2O4 and a molecular weight of 377.19 g/mol. Its IUPAC name is 4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide
PubChem CID7820218
Molecular FormulaC16H13BrN2O4
Molecular Weight377.19 g/mol
Exact Mass376.01
IUPAC Name4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C=O)cc1
InChIInChI=1S/C16H13BrN2O4/c17-12-3-6-14(11(7-12)8-20)23-9-15(21)19-13-4-1-10(2-5-13)16(18)22/h1-8H,9H2,(H2,18,22)(H,19,21)
InChIKeyYJZCQGBKVIYMHZ-UHFFFAOYSA-N
XLogP2.38
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
CID 107697645
2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 975229
2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 17202094
2-(4-bromo-2-formylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8862958
2-(4-bromo-2-formylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7819897
2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide
CID 7820172
N-(1,3-benzodioxol-5-yl)-2-(4-bromo-2-formylphenoxy)acetamide
CID 7820174
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
4-[[(2R)-2-(4-bromo-2-formylphenoxy)propanoyl]amino]benzamide
CID 7820103
2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 18284474
2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 7820166
2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 19619525

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide (CID 7820218) is 4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C=O)cc1.
What is the InChIKey of 4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide?
The InChIKey is YJZCQGBKVIYMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O4/c17-12-3-6-14(11(7-12)8-20)23-9-15(21)19-13-4-1-10(2-5-13)16(18)22/h1-8H,9H2,(H2,18,22)(H,19,21).
What are the key properties of 4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide?
4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide has a molecular weight of 377.19 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 7820218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).