3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide

C14H21FN2O — CID 62092742

IUPAC3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-6-11(5-2)17-14(18)10-7-12(15)9(3)13(16)8-10/h7-8,11H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyZJBPUHJUVVDJPD-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.02
Rot. Bonds5

About 3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide

3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide (PubChem CID 62092742) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
PubChem CID62092742
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-6-11(5-2)17-14(18)10-7-12(15)9(3)13(16)8-10/h7-8,11H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyZJBPUHJUVVDJPD-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-difluoro-N-pentan-3-ylbenzamide
CID 63187133
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-fluoro-4-methylbenzamide
CID 106343679
5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
CID 62092925
3-amino-N-(1-amino-1-oxopropan-2-yl)-5-fluoro-4-methylbenzamide
CID 60860693
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-amino-5-fluoro-4-methylbenzoate
CID 61489712
3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide
CID 55157890
3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950307
3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
CID 107120973
3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide
CID 106027843
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493
4-amino-N-hexan-3-ylbenzamide
CID 62094734

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide (CID 62092742) is 3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide is CCCC(CC)NC(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide?
The InChIKey is ZJBPUHJUVVDJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-6-11(5-2)17-14(18)10-7-12(15)9(3)13(16)8-10/h7-8,11H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide?
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide has a molecular weight of 252.33 g/mol, XLogP of 3.02, 5 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-hexan-3-yl-4-methylbenzamide is sourced from PubChem (CID 62092742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).