N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide

C17H16BrN3O5 — CID 2632099

IUPACN-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16BrN3O5/c1-11-8-12(18)2-7-15(11)20-16(22)9-19-17(23)10-26-14-5-3-13(4-6-14)21(24)25/h2-8H,9-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyNWWSMNCNBNRCIB-UHFFFAOYSA-N
MW422.24 g/mol
LogP2.80
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide (PubChem CID 2632099) has the molecular formula C17H16BrN3O5 and a molecular weight of 422.24 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide
PubChem CID2632099
Molecular FormulaC17H16BrN3O5
Molecular Weight422.24 g/mol
Exact Mass421.03
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16BrN3O5/c1-11-8-12(18)2-7-15(11)20-16(22)9-19-17(23)10-26-14-5-3-13(4-6-14)21(24)25/h2-8H,9-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyNWWSMNCNBNRCIB-UHFFFAOYSA-N
XLogP2.80
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.24
LogP ≤ 52.80
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

2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 2621364
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide
CID 71696136
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
N-(4-bromo-2-methylphenyl)-2-(2,4-dinitroanilino)acetamide
CID 9185550
N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 32680618
2-(2,4-dibromo-6-methylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 4503873
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 53268222
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 16502357
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 55403286

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide (CID 2632099) is N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide?
The InChIKey is NWWSMNCNBNRCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O5/c1-11-8-12(18)2-7-15(11)20-16(22)9-19-17(23)10-26-14-5-3-13(4-6-14)21(24)25/h2-8H,9-10H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide has a molecular weight of 422.24 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 2632099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).