N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide

C17H14F2N4O6 — CID 4303961

IUPACN,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C17H14F2N4O6/c18-12-6-4-10(8-14(12)22(26)27)20-16(24)2-1-3-17(25)21-11-5-7-13(19)15(9-11)23(28)29/h4-9H,1-3H2,(H,20,24)(H,21,25)
InChIKeyAGZMMBQCAIHPQF-UHFFFAOYSA-N
MW408.32 g/mol
LogP3.53
Rot. Bonds8

About N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide

N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide (PubChem CID 4303961) has the molecular formula C17H14F2N4O6 and a molecular weight of 408.32 g/mol. Its IUPAC name is N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
PubChem CID4303961
Molecular FormulaC17H14F2N4O6
Molecular Weight408.32 g/mol
Exact Mass408.09
IUPAC NameN,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C17H14F2N4O6/c18-12-6-4-10(8-14(12)22(26)27)20-16(24)2-1-3-17(25)21-11-5-7-13(19)15(9-11)23(28)29/h4-9H,1-3H2,(H,20,24)(H,21,25)
InChIKeyAGZMMBQCAIHPQF-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'}

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Related Compounds

N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide
CID 2687981
5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
CID 82011167
3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 874154
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 33172062
N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide
CID 38701334
N-[4-(4-fluoro-3-nitroanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9404952
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 9212200
N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 43422996
N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide
CID 9207905

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide?
The IUPAC name of N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide (CID 4303961) is N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide.
What is the SMILES notation for N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide?
The canonical SMILES for N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide is O=C(CCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide?
The InChIKey is AGZMMBQCAIHPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O6/c18-12-6-4-10(8-14(12)22(26)27)20-16(24)2-1-3-17(25)21-11-5-7-13(19)15(9-11)23(28)29/h4-9H,1-3H2,(H,20,24)(H,21,25).
What are the key properties of N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide?
N,N'-bis(4-fluoro-3-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(4-fluoro-3-nitrophenyl)pentanediamide is sourced from PubChem (CID 4303961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).