2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide

C14H21FN2O2 — CID 43363356

IUPAC2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H21FN2O2/c1-10(2)9-19-7-3-6-17-14(18)12-8-11(15)4-5-13(12)16/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyOWQYWBLMGJVHAD-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.20
Rot. Bonds7

About 2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide

2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide (PubChem CID 43363356) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide
PubChem CID43363356
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H21FN2O2/c1-10(2)9-19-7-3-6-17-14(18)12-8-11(15)4-5-13(12)16/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyOWQYWBLMGJVHAD-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
CID 79713860
2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103940009
2-amino-5-fluoro-N-(3-formamidopropyl)benzamide
CID 82547187
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78849698
N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
CID 106307851
8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid
CID 54514696
4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103863566
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478
2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 134042472
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide?
The IUPAC name of 2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide (CID 43363356) is 2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide is CC(C)COCCCNC(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide?
The InChIKey is OWQYWBLMGJVHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10(2)9-19-7-3-6-17-14(18)12-8-11(15)4-5-13(12)16/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide?
2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide has a molecular weight of 268.33 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide is sourced from PubChem (CID 43363356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).