2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide

C16H14BrN3O5 — CID 71696136

IUPAC2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)NCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14BrN3O5/c17-11-4-6-14(7-5-11)25-10-16(22)18-9-15(21)19-12-2-1-3-13(8-12)20(23)24/h1-8H,9-10H2,(H,18,22)(H,19,21)
InChIKeyVYGOLXRKGJDNAR-UHFFFAOYSA-N
MW408.21 g/mol
LogP2.49
Rot. Bonds7

About 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide

2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide (PubChem CID 71696136) has the molecular formula C16H14BrN3O5 and a molecular weight of 408.21 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide
PubChem CID71696136
Molecular FormulaC16H14BrN3O5
Molecular Weight408.21 g/mol
Exact Mass407.01
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)NCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14BrN3O5/c17-11-4-6-14(7-5-11)25-10-16(22)18-9-15(21)19-12-2-1-3-13(8-12)20(23)24/h1-8H,9-10H2,(H,18,22)(H,19,21)
InChIKeyVYGOLXRKGJDNAR-UHFFFAOYSA-N
XLogP2.49
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.21
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 7965634
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113000525
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 2632099
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
2-(4-bromo-2-ethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 19202439
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3-nitrophenyl)acetamide
CID 918526
N-[3-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55880159
1-(3-nitrophenyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]urea
CID 18871027
3-[(4-bromophenyl)carbamoylamino]-N-(3-nitrophenyl)propanamide
CID 55773716

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide (CID 71696136) is 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide is O=C(COc1ccc(Br)cc1)NCC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide?
The InChIKey is VYGOLXRKGJDNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O5/c17-11-4-6-14(7-5-11)25-10-16(22)18-9-15(21)19-12-2-1-3-13(8-12)20(23)24/h1-8H,9-10H2,(H,18,22)(H,19,21).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide?
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide has a molecular weight of 408.21 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 71696136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).