N-(2-bromophenyl)-2-(4-nitroanilino)acetamide

C14H12BrN3O3 — CID 4780880

IUPACN-(2-bromophenyl)-2-(4-nitroanilino)acetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Br
InChIInChI=1S/C14H12BrN3O3/c15-12-3-1-2-4-13(12)17-14(19)9-16-10-5-7-11(8-6-10)18(20)21/h1-8,16H,9H2,(H,17,19)
InChIKeyQMGSOAVICQJPHW-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.41
Rot. Bonds5

About N-(2-bromophenyl)-2-(4-nitroanilino)acetamide

N-(2-bromophenyl)-2-(4-nitroanilino)acetamide (PubChem CID 4780880) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-nitroanilino)acetamide
PubChem CID4780880
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC NameN-(2-bromophenyl)-2-(4-nitroanilino)acetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Br
InChIInChI=1S/C14H12BrN3O3/c15-12-3-1-2-4-13(12)17-14(19)9-16-10-5-7-11(8-6-10)18(20)21/h1-8,16H,9H2,(H,17,19)
InChIKeyQMGSOAVICQJPHW-UHFFFAOYSA-N
XLogP3.41
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
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-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide
CID 9082146
N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
CID 109008293
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830564
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide
CID 3270507
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455
N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9252615
N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
CID 28580893
N-(2-bromophenyl)-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]acetamide
CID 46614305
[2-(2-bromoanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770703
N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834057

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-nitroanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-nitroanilino)acetamide (CID 4780880) is N-(2-bromophenyl)-2-(4-nitroanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-nitroanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-nitroanilino)acetamide is O=C(CNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(4-nitroanilino)acetamide?
The InChIKey is QMGSOAVICQJPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-12-3-1-2-4-13(12)17-14(19)9-16-10-5-7-11(8-6-10)18(20)21/h1-8,16H,9H2,(H,17,19).
What are the key properties of N-(2-bromophenyl)-2-(4-nitroanilino)acetamide?
N-(2-bromophenyl)-2-(4-nitroanilino)acetamide has a molecular weight of 350.17 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-nitroanilino)acetamide is sourced from PubChem (CID 4780880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).