2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide

C15H13BrN2O4 — CID 2953745

IUPAC2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13BrN2O4/c1-10(22-12-8-6-11(16)7-9-12)15(19)17-13-4-2-3-5-14(13)18(20)21/h2-10H,1H3,(H,17,19)
InChIKeyQJCGQJUIFXJLDB-UHFFFAOYSA-N
MW365.18 g/mol
LogP3.76
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide

2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide (PubChem CID 2953745) has the molecular formula C15H13BrN2O4 and a molecular weight of 365.18 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide
PubChem CID2953745
Molecular FormulaC15H13BrN2O4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13BrN2O4/c1-10(22-12-8-6-11(16)7-9-12)15(19)17-13-4-2-3-5-14(13)18(20)21/h2-10H,1H3,(H,17,19)
InChIKeyQJCGQJUIFXJLDB-UHFFFAOYSA-N
XLogP3.76
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
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

(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7212772
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
CID 53267271
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833634
2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide
CID 2939832
2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide
CID 17358897
methyl 2-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]benzoate
CID 29453906
(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 7090808
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide
CID 7453838
2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266753
2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266594

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide (CID 2953745) is 2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide?
The InChIKey is QJCGQJUIFXJLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4/c1-10(22-12-8-6-11(16)7-9-12)15(19)17-13-4-2-3-5-14(13)18(20)21/h2-10H,1H3,(H,17,19).
What are the key properties of 2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide?
2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide has a molecular weight of 365.18 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 2953745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).