4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide

C22H36FNO — CID 123815567

IUPAC4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide
SMILESCC(C)CCC(CNC(=O)c1ccc(F)cc1)(CC(C)C)CC(C)C
InChIInChI=1S/C22H36FNO/c1-16(2)11-12-22(13-17(3)4,14-18(5)6)15-24-21(25)19-7-9-20(23)10-8-19/h7-10,16-18H,11-15H2,1-6H3,(H,24,25)
InChIKeyGJWUDCXDJNWFHA-UHFFFAOYSA-N
MW349.53 g/mol
LogP6.07
Rot. Bonds10

About 4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide

4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide (PubChem CID 123815567) has the molecular formula C22H36FNO and a molecular weight of 349.53 g/mol. Its IUPAC name is 4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide
PubChem CID123815567
Molecular FormulaC22H36FNO
Molecular Weight349.53 g/mol
Exact Mass349.28
IUPAC Name4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide
SMILESCC(C)CCC(CNC(=O)c1ccc(F)cc1)(CC(C)C)CC(C)C
InChIInChI=1S/C22H36FNO/c1-16(2)11-12-22(13-17(3)4,14-18(5)6)15-24-21(25)19-7-9-20(23)10-8-19/h7-10,16-18H,11-15H2,1-6H3,(H,24,25)
InChIKeyGJWUDCXDJNWFHA-UHFFFAOYSA-N
XLogP6.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.53
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide
CID 123692318
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluorobenzamide
CID 114164806
N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide
CID 123280491
4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 17426344
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
[4-[[(4-fluorobenzoyl)amino]methyl]-6-methyl-4-propan-2-ylheptan-3-yl] 4-fluorobenzoate
CID 67419122
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide
CID 25440540
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
4-[(4-fluorobenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66000907
N-[(2S)-3-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide
CID 2225924
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide?
The IUPAC name of 4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide (CID 123815567) is 4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide is CC(C)CCC(CNC(=O)c1ccc(F)cc1)(CC(C)C)CC(C)C.
What is the InChIKey of 4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide?
The InChIKey is GJWUDCXDJNWFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36FNO/c1-16(2)11-12-22(13-17(3)4,14-18(5)6)15-24-21(25)19-7-9-20(23)10-8-19/h7-10,16-18H,11-15H2,1-6H3,(H,24,25).
What are the key properties of 4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide?
4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide has a molecular weight of 349.53 g/mol, XLogP of 6.07, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-methyl-2,2-bis(2-methylpropyl)hexyl]benzamide is sourced from PubChem (CID 123815567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).