5-(3-fluoro-2-nitroanilino)pentanamide

C11H14FN3O3 — CID 106238518

IUPAC5-(3-fluoro-2-nitroanilino)pentanamide
SMILESNC(=O)CCCCNc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c12-8-4-3-5-9(11(8)15(17)18)14-7-2-1-6-10(13)16/h3-5,14H,1-2,6-7H2,(H2,13,16)
InChIKeyXPPICJWKJFQXME-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.80
Rot. Bonds7

About 5-(3-fluoro-2-nitroanilino)pentanamide

5-(3-fluoro-2-nitroanilino)pentanamide (PubChem CID 106238518) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-(3-fluoro-2-nitroanilino)pentanamide.

Molecular Properties

Compound Name5-(3-fluoro-2-nitroanilino)pentanamide
PubChem CID106238518
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name5-(3-fluoro-2-nitroanilino)pentanamide
SMILESNC(=O)CCCCNc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c12-8-4-3-5-9(11(8)15(17)18)14-7-2-1-6-10(13)16/h3-5,14H,1-2,6-7H2,(H2,13,16)
InChIKeyXPPICJWKJFQXME-UHFFFAOYSA-N
XLogP1.80
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

5-(3,5-difluoro-2-nitroanilino)pentanamide
CID 106239018
ethyl 4-(3-fluoro-2-nitroanilino)butanoate
CID 64575091
N',N'-diethyl-N-(3-fluoro-2-nitrophenyl)propane-1,3-diamine
CID 60789823
N-[2-(4-aminophenyl)ethyl]-3-fluoro-2-nitroaniline
CID 63237015
5-[(4-nitro-1,3-benzothiazol-5-yl)amino]pentanamide
CID 106238932
N'-(3-chloro-2-nitrophenyl)butane-1,4-diamine
CID 104835525
5-[3-(methylamino)-2-nitroanilino]pentan-1-ol
CID 107324203
2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 60789586
N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 62641440
3-amino-4-(3-fluoro-2-nitroanilino)butan-2-ol
CID 64541514
N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide
CID 60788724
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549371

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-nitroanilino)pentanamide?
The IUPAC name of 5-(3-fluoro-2-nitroanilino)pentanamide (CID 106238518) is 5-(3-fluoro-2-nitroanilino)pentanamide.
What is the SMILES notation for 5-(3-fluoro-2-nitroanilino)pentanamide?
The canonical SMILES for 5-(3-fluoro-2-nitroanilino)pentanamide is NC(=O)CCCCNc1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of 5-(3-fluoro-2-nitroanilino)pentanamide?
The InChIKey is XPPICJWKJFQXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c12-8-4-3-5-9(11(8)15(17)18)14-7-2-1-6-10(13)16/h3-5,14H,1-2,6-7H2,(H2,13,16).
What are the key properties of 5-(3-fluoro-2-nitroanilino)pentanamide?
5-(3-fluoro-2-nitroanilino)pentanamide has a molecular weight of 255.25 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-nitroanilino)pentanamide is sourced from PubChem (CID 106238518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).