2,6-difluoro-3-(nonan-2-ylamino)benzamide

C16H24F2N2O — CID 155520957

IUPAC2,6-difluoro-3-(nonan-2-ylamino)benzamide
SMILESCCCCCCCC(C)Nc1ccc(F)c(C(N)=O)c1F
InChIInChI=1S/C16H24F2N2O/c1-3-4-5-6-7-8-11(2)20-13-10-9-12(17)14(15(13)18)16(19)21/h9-11,20H,3-8H2,1-2H3,(H2,19,21)
InChIKeyYSBOSWBIKUCEGJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.22
Rot. Bonds9

About 2,6-difluoro-3-(nonan-2-ylamino)benzamide

2,6-difluoro-3-(nonan-2-ylamino)benzamide (PubChem CID 155520957) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2,6-difluoro-3-(nonan-2-ylamino)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-(nonan-2-ylamino)benzamide
PubChem CID155520957
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2,6-difluoro-3-(nonan-2-ylamino)benzamide
SMILESCCCCCCCC(C)Nc1ccc(F)c(C(N)=O)c1F
InChIInChI=1S/C16H24F2N2O/c1-3-4-5-6-7-8-11(2)20-13-10-9-12(17)14(15(13)18)16(19)21/h9-11,20H,3-8H2,1-2H3,(H2,19,21)
InChIKeyYSBOSWBIKUCEGJ-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-(heptan-2-ylamino)benzoic acid
CID 79522598
2,4-difluoro-5-(heptan-2-ylamino)benzamide
CID 43673685
methyl 4-fluoro-3-(nonan-2-ylamino)benzoate
CID 43684456
2,5-difluoro-N-nonan-2-ylaniline
CID 43129763
5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
N-[2-fluoro-5-(nonan-2-ylamino)phenyl]acetamide
CID 60927482
2-fluoro-4-methyl-N-octan-2-ylaniline
CID 43130115
2-[2-(octan-2-ylamino)phenyl]acetamide
CID 43738518
2,4-difluoro-N-heptan-2-ylaniline
CID 43095629
4-bromo-2-fluoro-N-nonan-2-ylaniline
CID 63419505
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide
CID 62201221

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(nonan-2-ylamino)benzamide?
The IUPAC name of 2,6-difluoro-3-(nonan-2-ylamino)benzamide (CID 155520957) is 2,6-difluoro-3-(nonan-2-ylamino)benzamide.
What is the SMILES notation for 2,6-difluoro-3-(nonan-2-ylamino)benzamide?
The canonical SMILES for 2,6-difluoro-3-(nonan-2-ylamino)benzamide is CCCCCCCC(C)Nc1ccc(F)c(C(N)=O)c1F.
What is the InChIKey of 2,6-difluoro-3-(nonan-2-ylamino)benzamide?
The InChIKey is YSBOSWBIKUCEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-3-4-5-6-7-8-11(2)20-13-10-9-12(17)14(15(13)18)16(19)21/h9-11,20H,3-8H2,1-2H3,(H2,19,21).
What are the key properties of 2,6-difluoro-3-(nonan-2-ylamino)benzamide?
2,6-difluoro-3-(nonan-2-ylamino)benzamide has a molecular weight of 298.38 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(nonan-2-ylamino)benzamide is sourced from PubChem (CID 155520957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).