4-nitro-N-(7-nitro-6-oxoheptyl)benzamide

C14H17N3O6 — CID 2345171

IUPAC4-nitro-N-(7-nitro-6-oxoheptyl)benzamide
SMILESO=C(CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1)C[N+](=O)[O-]
InChIInChI=1S/C14H17N3O6/c18-13(10-16(20)21)4-2-1-3-9-15-14(19)11-5-7-12(8-6-11)17(22)23/h5-8H,1-4,9-10H2,(H,15,19)
InChIKeyNYHFFSCCQSLCKA-UHFFFAOYSA-N
MW323.30 g/mol
LogP1.73
Rot. Bonds10

About 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide

4-nitro-N-(7-nitro-6-oxoheptyl)benzamide (PubChem CID 2345171) has the molecular formula C14H17N3O6 and a molecular weight of 323.30 g/mol. Its IUPAC name is 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(7-nitro-6-oxoheptyl)benzamide
PubChem CID2345171
Molecular FormulaC14H17N3O6
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Name4-nitro-N-(7-nitro-6-oxoheptyl)benzamide
SMILESO=C(CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1)C[N+](=O)[O-]
InChIInChI=1S/C14H17N3O6/c18-13(10-16(20)21)4-2-1-3-9-15-14(19)11-5-7-12(8-6-11)17(22)23/h5-8H,1-4,9-10H2,(H,15,19)
InChIKeyNYHFFSCCQSLCKA-UHFFFAOYSA-N
XLogP1.73
TPSA132.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 4-[(4-nitrobenzoyl)amino]butanoate
CID 133269640
CID 23358530
CID 23358530
N-(3-chloropropyl)-4-nitrobenzamide
CID 3421653
4-nitro-N-(3-silylpropyl)benzamide
CID 123594916
N-(4-azidobutyl)-4-nitrobenzamide
CID 114182192
N-[3-(2-chloroethoxy)propyl]-4-nitrobenzamide
CID 114171314
N-[8-[(3,5-dinitrobenzoyl)amino]octyl]-3,5-dinitrobenzamide
CID 4596200
6-[(4-nitrobenzoyl)amino]hexyl methanesulfonate
CID 101182863
N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide
CID 46890621
tert-butyl-[3-[(4-nitrobenzoyl)amino]propyl]azanium
CID 9089828
N-[3-(diethylamino)propyl]-4-nitrobenzamide
CID 3278137
(2S)-2-[[(4S)-4-carboxy-4-[8-[(4-nitrobenzoyl)amino]octanoylamino]butanoyl]amino]butanedioic acid
CID 11678417

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide?
The IUPAC name of 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide (CID 2345171) is 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide.
What is the SMILES notation for 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide?
The canonical SMILES for 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide is O=C(CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1)C[N+](=O)[O-].
What is the InChIKey of 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide?
The InChIKey is NYHFFSCCQSLCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O6/c18-13(10-16(20)21)4-2-1-3-9-15-14(19)11-5-7-12(8-6-11)17(22)23/h5-8H,1-4,9-10H2,(H,15,19).
What are the key properties of 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide?
4-nitro-N-(7-nitro-6-oxoheptyl)benzamide has a molecular weight of 323.30 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(7-nitro-6-oxoheptyl)benzamide is sourced from PubChem (CID 2345171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).