4-decyl-2-fluoro-3-methylbenzamide

C18H28FNO — CID 57359826

IUPAC4-decyl-2-fluoro-3-methylbenzamide
SMILESCCCCCCCCCCc1ccc(C(N)=O)c(F)c1C
InChIInChI=1S/C18H28FNO/c1-3-4-5-6-7-8-9-10-11-15-12-13-16(18(20)21)17(19)14(15)2/h12-13H,3-11H2,1-2H3,(H2,20,21)
InChIKeyRTHZJLGXNBMFMC-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.92
Rot. Bonds10

About 4-decyl-2-fluoro-3-methylbenzamide

4-decyl-2-fluoro-3-methylbenzamide (PubChem CID 57359826) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-decyl-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name4-decyl-2-fluoro-3-methylbenzamide
PubChem CID57359826
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name4-decyl-2-fluoro-3-methylbenzamide
SMILESCCCCCCCCCCc1ccc(C(N)=O)c(F)c1C
InChIInChI=1S/C18H28FNO/c1-3-4-5-6-7-8-9-10-11-15-12-13-16(18(20)21)17(19)14(15)2/h12-13H,3-11H2,1-2H3,(H2,20,21)
InChIKeyRTHZJLGXNBMFMC-UHFFFAOYSA-N
XLogP4.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
4-heptyl-2-octyl-3-(trifluoromethyl)benzamide
CID 57359737
2-decylbenzene-1,4-dicarboxamide
CID 141297186
3-carbamoyl-2,6-dioctadecylbenzoic acid
CID 68723521
2-octylbenzamide
CID 11148995
4-heptadecyl-3-methylphthalic acid
CID 69470655
2,3-difluoro-4-pentylbenzoic acid
CID 19103630
2,3-dihexyl-4-methylbenzamide
CID 154326325
3,4-dibutylbenzene-1,2-dicarboxamide
CID 175393546
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
3-decylbenzene-1,2,4,5-tetracarboxamide
CID 175294645
2-methyl-3-propylbenzamide
CID 66693156

Frequently Asked Questions

What is the IUPAC name of 4-decyl-2-fluoro-3-methylbenzamide?
The IUPAC name of 4-decyl-2-fluoro-3-methylbenzamide (CID 57359826) is 4-decyl-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 4-decyl-2-fluoro-3-methylbenzamide?
The canonical SMILES for 4-decyl-2-fluoro-3-methylbenzamide is CCCCCCCCCCc1ccc(C(N)=O)c(F)c1C.
What is the InChIKey of 4-decyl-2-fluoro-3-methylbenzamide?
The InChIKey is RTHZJLGXNBMFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-4-5-6-7-8-9-10-11-15-12-13-16(18(20)21)17(19)14(15)2/h12-13H,3-11H2,1-2H3,(H2,20,21).
What are the key properties of 4-decyl-2-fluoro-3-methylbenzamide?
4-decyl-2-fluoro-3-methylbenzamide has a molecular weight of 293.43 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 57359826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).