2-fluoro-4-methyl-N-(5-methylhexyl)benzamide

C15H22FNO — CID 79790982

IUPAC2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
SMILESCc1ccc(C(=O)NCCCCC(C)C)c(F)c1
InChIInChI=1S/C15H22FNO/c1-11(2)6-4-5-9-17-15(18)13-8-7-12(3)10-14(13)16/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyIVPHSFIXJJKXCU-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.69
Rot. Bonds6

About 2-fluoro-4-methyl-N-(5-methylhexyl)benzamide

2-fluoro-4-methyl-N-(5-methylhexyl)benzamide (PubChem CID 79790982) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(5-methylhexyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
PubChem CID79790982
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
SMILESCc1ccc(C(=O)NCCCCC(C)C)c(F)c1
InChIInChI=1S/C15H22FNO/c1-11(2)6-4-5-9-17-15(18)13-8-7-12(3)10-14(13)16/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyIVPHSFIXJJKXCU-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.69
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

2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
CID 107320953
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226
3-fluoro-4-(5-methylhexylcarbamoyl)benzenesulfonyl chloride
CID 115325505
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
2-[[(1S)-1-carboxy-5-[(2-fluoro-4-methylbenzoyl)amino]pentyl]carbamoylamino]pentanedioic acid
CID 145069075
2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 112696705
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
CID 63525308
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
4-[(2-fluoro-4-methylbenzoyl)amino]-2,2-dimethylbutanoic acid
CID 114285479
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 113251010

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(5-methylhexyl)benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-(5-methylhexyl)benzamide (CID 79790982) is 2-fluoro-4-methyl-N-(5-methylhexyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-(5-methylhexyl)benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-(5-methylhexyl)benzamide is Cc1ccc(C(=O)NCCCCC(C)C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(5-methylhexyl)benzamide?
The InChIKey is IVPHSFIXJJKXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(2)6-4-5-9-17-15(18)13-8-7-12(3)10-14(13)16/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of 2-fluoro-4-methyl-N-(5-methylhexyl)benzamide?
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide has a molecular weight of 251.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(5-methylhexyl)benzamide is sourced from PubChem (CID 79790982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).