N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide

C17H14F2N4O6 — CID 3363812

IUPACN,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C17H14F2N4O6/c18-12-6-4-10(22(26)27)8-14(12)20-16(24)2-1-3-17(25)21-15-9-11(23(28)29)5-7-13(15)19/h4-9H,1-3H2,(H,20,24)(H,21,25)
InChIKeyMQTKMDOMIJOADQ-UHFFFAOYSA-N
MW408.32 g/mol
LogP3.53
Rot. Bonds8

About N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide

N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide (PubChem CID 3363812) has the molecular formula C17H14F2N4O6 and a molecular weight of 408.32 g/mol. Its IUPAC name is N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
PubChem CID3363812
Molecular FormulaC17H14F2N4O6
Molecular Weight408.32 g/mol
Exact Mass408.09
IUPAC NameN,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C17H14F2N4O6/c18-12-6-4-10(22(26)27)8-14(12)20-16(24)2-1-3-17(25)21-15-9-11(23(28)29)5-7-13(15)19/h4-9H,1-3H2,(H,20,24)(H,21,25)
InChIKeyMQTKMDOMIJOADQ-UHFFFAOYSA-N
XLogP3.53
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide 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

N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide
CID 1121904
N-(2-fluoro-5-nitrophenyl)-4-naphthalen-1-yloxybutanamide
CID 60528261
5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid
CID 3546109
N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467427
3-(3,5-dimethoxyphenyl)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 134044495
N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide
CID 4043303
3-(2,6-dimethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 52696119
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7501336
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] (E)-but-2-enoate
CID 2508455
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide?
The IUPAC name of N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide (CID 3363812) is N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide.
What is the SMILES notation for N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide?
The canonical SMILES for N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide is O=C(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide?
The InChIKey is MQTKMDOMIJOADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O6/c18-12-6-4-10(22(26)27)8-14(12)20-16(24)2-1-3-17(25)21-15-9-11(23(28)29)5-7-13(15)19/h4-9H,1-3H2,(H,20,24)(H,21,25).
What are the key properties of N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide?
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide has a molecular weight of 408.32 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide is sourced from PubChem (CID 3363812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).