5-amino-N-butyl-2-fluorobenzamide

C11H15FN2O — CID 43510823

IUPAC5-amino-N-butyl-2-fluorobenzamide
SMILESCCCCNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H15FN2O/c1-2-3-6-14-11(15)9-7-8(13)4-5-10(9)12/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyODWVWBQLEVIZCI-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.94
Rot. Bonds4

About 5-amino-N-butyl-2-fluorobenzamide

5-amino-N-butyl-2-fluorobenzamide (PubChem CID 43510823) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 5-amino-N-butyl-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-butyl-2-fluorobenzamide
PubChem CID43510823
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name5-amino-N-butyl-2-fluorobenzamide
SMILESCCCCNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H15FN2O/c1-2-3-6-14-11(15)9-7-8(13)4-5-10(9)12/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyODWVWBQLEVIZCI-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980674
5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide
CID 113487135
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
2,5-difluoro-N-undecylbenzamide
CID 91717430
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
5-amino-N-butyl-2-ethoxybenzamide
CID 28689998
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide
CID 106233330
5-(3-aminoprop-1-ynyl)-N-butyl-2-fluorobenzamide
CID 60821115
2-fluoro-N-hexyl-5-sulfanylbenzamide
CID 107030493
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
CID 114536137

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-2-fluorobenzamide?
The IUPAC name of 5-amino-N-butyl-2-fluorobenzamide (CID 43510823) is 5-amino-N-butyl-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-butyl-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-butyl-2-fluorobenzamide is CCCCNC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-N-butyl-2-fluorobenzamide?
The InChIKey is ODWVWBQLEVIZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-2-3-6-14-11(15)9-7-8(13)4-5-10(9)12/h4-5,7H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of 5-amino-N-butyl-2-fluorobenzamide?
5-amino-N-butyl-2-fluorobenzamide has a molecular weight of 210.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-2-fluorobenzamide is sourced from PubChem (CID 43510823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).