N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide

C15H14BrN3O3 — CID 9102349

IUPACN-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
SMILESCc1c(NCC(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14BrN3O3/c1-10-13(6-3-7-14(10)19(21)22)17-9-15(20)18-12-5-2-4-11(16)8-12/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyJPBZEEQMTYDXRB-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.72
Rot. Bonds5

About N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide

N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide (PubChem CID 9102349) has the molecular formula C15H14BrN3O3 and a molecular weight of 364.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
PubChem CID9102349
Molecular FormulaC15H14BrN3O3
Molecular Weight364.20 g/mol
Exact Mass363.02
IUPAC NameN-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
SMILESCc1c(NCC(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14BrN3O3/c1-10-13(6-3-7-14(10)19(21)22)17-9-15(20)18-12-5-2-4-11(16)8-12/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyJPBZEEQMTYDXRB-UHFFFAOYSA-N
XLogP3.72
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.72
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

4-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzamide
CID 37479645
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
N-(3-bromophenyl)-3-(2-nitroanilino)propanamide
CID 16620730
2-(3-bromoanilino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 9080395
2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26525399
N-(3-bromophenyl)-2-methyl-3-nitrobenzamide
CID 799056
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537
2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26507122
N-[4-(difluoromethoxy)phenyl]-2-(2-methyl-3-nitroanilino)acetamide
CID 9102534
2-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26416516
N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102471

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide (CID 9102349) is N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide is Cc1c(NCC(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide?
The InChIKey is JPBZEEQMTYDXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3/c1-10-13(6-3-7-14(10)19(21)22)17-9-15(20)18-12-5-2-4-11(16)8-12/h2-8,17H,9H2,1H3,(H,18,20).
What are the key properties of N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide?
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide has a molecular weight of 364.20 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide is sourced from PubChem (CID 9102349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).