3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide

C16H24F2N2O — CID 106027843

IUPAC3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-4-6-8-12(7-5-2)20-16(21)11-9-13(17)15(19-3)14(18)10-11/h9-10,12,19H,4-8H2,1-3H3,(H,20,21)
InChIKeyPJMUIHZSSBGTFU-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.10
Rot. Bonds8

About 3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide

3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide (PubChem CID 106027843) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide
PubChem CID106027843
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-4-6-8-12(7-5-2)20-16(21)11-9-13(17)15(19-3)14(18)10-11/h9-10,12,19H,4-8H2,1-3H3,(H,20,21)
InChIKeyPJMUIHZSSBGTFU-UHFFFAOYSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide
CID 55157890
3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027972
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
CID 62092742
N-octan-4-yl-4-sulfanylbenzamide
CID 114138154
5-bromo-N-octan-4-ylthiophene-3-carboxamide
CID 106025537
N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187331
4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide
CID 63184100
(3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid
CID 126425811
2-amino-3-fluoro-N-octan-4-ylbenzamide
CID 106025768
N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide
CID 65190911

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide?
The IUPAC name of 3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide (CID 106027843) is 3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide.
What is the SMILES notation for 3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide?
The canonical SMILES for 3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide is CCCCC(CCC)NC(=O)c1cc(F)c(NC)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide?
The InChIKey is PJMUIHZSSBGTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-4-6-8-12(7-5-2)20-16(21)11-9-13(17)15(19-3)14(18)10-11/h9-10,12,19H,4-8H2,1-3H3,(H,20,21).
What are the key properties of 3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide?
3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide has a molecular weight of 298.38 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide is sourced from PubChem (CID 106027843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).