N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide

C16H15BrN2O4 — CID 30381222

IUPACN-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15BrN2O4/c1-18(10-12-5-7-13(17)8-6-12)16(20)11-23-15-4-2-3-14(9-15)19(21)22/h2-9H,10-11H2,1H3
InChIKeyRIFABXRHYRLJAD-UHFFFAOYSA-N
MW379.21 g/mol
LogP3.39
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide

N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide (PubChem CID 30381222) has the molecular formula C16H15BrN2O4 and a molecular weight of 379.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide
PubChem CID30381222
Molecular FormulaC16H15BrN2O4
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15BrN2O4/c1-18(10-12-5-7-13(17)8-6-12)16(20)11-23-15-4-2-3-14(9-15)19(21)22/h2-9H,10-11H2,1H3
InChIKeyRIFABXRHYRLJAD-UHFFFAOYSA-N
XLogP3.39
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-2-(3-nitrophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511055
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitrophenoxy)acetamide
CID 63929130
N-methoxy-N-methyl-2-(3-nitrophenoxy)acetamide
CID 55027939
N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586850
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 55403286
N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586964
1-methoxy-3-(3-nitrophenoxy)propan-2-one
CID 107508001
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide
CID 27811305
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 112792407
2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
CID 63681423
2-(3-acetylphenoxy)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylacetamide
CID 86912235
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504643

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide (CID 30381222) is N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide is CN(Cc1ccc(Br)cc1)C(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide?
The InChIKey is RIFABXRHYRLJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c1-18(10-12-5-7-13(17)8-6-12)16(20)11-23-15-4-2-3-14(9-15)19(21)22/h2-9H,10-11H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide?
N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide has a molecular weight of 379.21 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 30381222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).