N-(2-amino-6-nitrophenyl)acetamide

C8H9N3O3 — CID 67947056

IUPACN-(2-amino-6-nitrophenyl)acetamide
SMILESCC(=O)Nc1c(N)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O3/c1-5(12)10-8-6(9)3-2-4-7(8)11(13)14/h2-4H,9H2,1H3,(H,10,12)
InChIKeyMYRJMTSBHIMEOM-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.14
Rot. Bonds2

About N-(2-amino-6-nitrophenyl)acetamide

N-(2-amino-6-nitrophenyl)acetamide (PubChem CID 67947056) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(2-amino-6-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-nitrophenyl)acetamide
PubChem CID67947056
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC NameN-(2-amino-6-nitrophenyl)acetamide
SMILESCC(=O)Nc1c(N)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O3/c1-5(12)10-8-6(9)3-2-4-7(8)11(13)14/h2-4H,9H2,1H3,(H,10,12)
InChIKeyMYRJMTSBHIMEOM-UHFFFAOYSA-N
XLogP1.14
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetyl-6-nitrophenyl)acetamide
CID 4639280
N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide
CID 71373249
N-(2-nitro-6-propan-2-ylphenyl)acetamide
CID 45074590
methane;2-nitro-6-phenylaniline;N-(2-nitro-6-phenylphenyl)acetamide
CID 159190796
N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide
CID 151794274
2-(2-amino-6-nitrophenyl)acetic acid
CID 118992480
methyl (E)-3-(2-acetamido-3-nitrophenyl)prop-2-enoate
CID 18433472
N-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
2,6-diaminophenol;2,6-dinitrophenol
CID 161330338
N-(2-amino-6-tert-butylphenyl)acetamide
CID 11959033
potassium 2-amino-6-nitrobenzoate
CID 71764475

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-nitrophenyl)acetamide?
The IUPAC name of N-(2-amino-6-nitrophenyl)acetamide (CID 67947056) is N-(2-amino-6-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-amino-6-nitrophenyl)acetamide?
The canonical SMILES for N-(2-amino-6-nitrophenyl)acetamide is CC(=O)Nc1c(N)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-amino-6-nitrophenyl)acetamide?
The InChIKey is MYRJMTSBHIMEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-5(12)10-8-6(9)3-2-4-7(8)11(13)14/h2-4H,9H2,1H3,(H,10,12).
What are the key properties of N-(2-amino-6-nitrophenyl)acetamide?
N-(2-amino-6-nitrophenyl)acetamide has a molecular weight of 195.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-nitrophenyl)acetamide is sourced from PubChem (CID 67947056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).