N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide

C14H11BrN2O3 — CID 885126

IUPACN-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Br
InChIInChI=1S/C14H11BrN2O3/c15-11-6-2-3-7-12(11)16-14(18)9-10-5-1-4-8-13(10)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyWWMDLEOLTMAVBI-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.54
Rot. Bonds4

About N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide

N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide (PubChem CID 885126) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
PubChem CID885126
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC NameN-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Br
InChIInChI=1S/C14H11BrN2O3/c15-11-6-2-3-7-12(11)16-14(18)9-10-5-1-4-8-13(10)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyWWMDLEOLTMAVBI-UHFFFAOYSA-N
XLogP3.54
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide
CID 3270507
N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
CID 26880181
2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362
N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide
CID 35728569
N-(5-bromo-2-chlorophenyl)-2-(2-nitrophenyl)acetamide
CID 62909951
4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide
CID 31969807
N-(3-bromo-4-fluorophenyl)-2-(2-nitrophenyl)acetamide
CID 115661368
2-bromo-N-[2-(2-nitrophenyl)ethyl]aniline
CID 63062431
2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 3939264
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-(2-bromophenyl)-2-naphthalen-1-ylacetamide
CID 835456
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide (CID 885126) is N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is WWMDLEOLTMAVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-11-6-2-3-7-12(11)16-14(18)9-10-5-1-4-8-13(10)17(19)20/h1-8H,9H2,(H,16,18).
What are the key properties of N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide?
N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 335.16 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 885126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).