N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide

C17H14N4O7 — CID 71373249

IUPACN-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide
SMILESCC(=O)Nc1c(C(=O)c2cccc([N+](=O)[O-])c2NC(C)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O7/c1-9(22)18-15-11(5-3-7-13(15)20(25)26)17(24)12-6-4-8-14(21(27)28)16(12)19-10(2)23/h3-8H,1-2H3,(H,18,22)(H,19,23)
InChIKeyZZDMIFDIFUKDQS-UHFFFAOYSA-N
MW386.32 g/mol
LogP2.65
Rot. Bonds6

About N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide

N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide (PubChem CID 71373249) has the molecular formula C17H14N4O7 and a molecular weight of 386.32 g/mol. Its IUPAC name is N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide
PubChem CID71373249
Molecular FormulaC17H14N4O7
Molecular Weight386.32 g/mol
Exact Mass386.09
IUPAC NameN-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide
SMILESCC(=O)Nc1c(C(=O)c2cccc([N+](=O)[O-])c2NC(C)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O7/c1-9(22)18-15-11(5-3-7-13(15)20(25)26)17(24)12-6-4-8-14(21(27)28)16(12)19-10(2)23/h3-8H,1-2H3,(H,18,22)(H,19,23)
InChIKeyZZDMIFDIFUKDQS-UHFFFAOYSA-N
XLogP2.65
TPSA161.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-acetyl-6-nitrophenyl)acetamide
CID 4639280
N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide
CID 151794274
N-(2-amino-6-nitrophenyl)acetamide
CID 67947056
N-(2-nitro-6-propan-2-ylphenyl)acetamide
CID 45074590
N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide
CID 154119488
methane;2-nitro-6-phenylaniline;N-(2-nitro-6-phenylphenyl)acetamide
CID 159190796
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-acetamido-3-hydroxyphenyl)arsonic acid;2-nitrobenzoic acid
CID 174786289
3-nitro-2-(3,3,3-trihydroxypropanoylamino)benzoic acid
CID 88792928
methyl 2-(2-nitrobenzoyl)benzoate
CID 174908464

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide?
The IUPAC name of N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide (CID 71373249) is N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide.
What is the SMILES notation for N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide?
The canonical SMILES for N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide is CC(=O)Nc1c(C(=O)c2cccc([N+](=O)[O-])c2NC(C)=O)cccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide?
The InChIKey is ZZDMIFDIFUKDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O7/c1-9(22)18-15-11(5-3-7-13(15)20(25)26)17(24)12-6-4-8-14(21(27)28)16(12)19-10(2)23/h3-8H,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide?
N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide has a molecular weight of 386.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide is sourced from PubChem (CID 71373249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).