3-amino-5-fluoro-N-hexyl-4-methylbenzamide

C14H21FN2O — CID 61111175

IUPAC3-amino-5-fluoro-N-hexyl-4-methylbenzamide
SMILESCCCCCCNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-3-4-5-6-7-17-14(18)11-8-12(15)10(2)13(16)9-11/h8-9H,3-7,16H2,1-2H3,(H,17,18)
InChIKeyXUQYMZSOVCVCQA-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.03
Rot. Bonds6

About 3-amino-5-fluoro-N-hexyl-4-methylbenzamide

3-amino-5-fluoro-N-hexyl-4-methylbenzamide (PubChem CID 61111175) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-hexyl-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-hexyl-4-methylbenzamide
PubChem CID61111175
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-amino-5-fluoro-N-hexyl-4-methylbenzamide
SMILESCCCCCCNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-3-4-5-6-7-17-14(18)11-8-12(15)10(2)13(16)9-11/h8-9H,3-7,16H2,1-2H3,(H,17,18)
InChIKeyXUQYMZSOVCVCQA-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.03
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

3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
CID 60860849
3,4-diamino-N-dodecylbenzamide
CID 22411166
3,5-diamino-N-hexadecylbenzamide
CID 54469516
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
CID 61103510
3,4-difluoro-N-heptylbenzamide
CID 91717416
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
4-amino-3-methyl-N-octylbenzamide
CID 115565914
5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-hexyl-4-methylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-hexyl-4-methylbenzamide (CID 61111175) is 3-amino-5-fluoro-N-hexyl-4-methylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-hexyl-4-methylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-hexyl-4-methylbenzamide is CCCCCCNC(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-hexyl-4-methylbenzamide?
The InChIKey is XUQYMZSOVCVCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-4-5-6-7-17-14(18)11-8-12(15)10(2)13(16)9-11/h8-9H,3-7,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-fluoro-N-hexyl-4-methylbenzamide?
3-amino-5-fluoro-N-hexyl-4-methylbenzamide has a molecular weight of 252.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-hexyl-4-methylbenzamide is sourced from PubChem (CID 61111175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).