N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide

C15H22FNO — CID 55260574

IUPACN-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide
SMILESCCC(CC)C(C)NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C15H22FNO/c1-5-12(6-2)11(4)17-15(18)13-9-10(3)7-8-14(13)16/h7-9,11-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyLFYKDUBIUYGHBB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.69
Rot. Bonds5

About N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide

N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide (PubChem CID 55260574) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide
PubChem CID55260574
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide
SMILESCCC(CC)C(C)NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C15H22FNO/c1-5-12(6-2)11(4)17-15(18)13-9-10(3)7-8-14(13)16/h7-9,11-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyLFYKDUBIUYGHBB-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

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Related Compounds

2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 62513013
5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide
CID 63843251
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
2-fluoro-5-methyl-N-pent-1-yn-3-ylbenzamide
CID 103579381
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
CID 82946219
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-fluoro-5-methylbenzamide
CID 62509807
2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 113246898
2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843254
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]hexanoic acid
CID 107144143
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659559
N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide (CID 55260574) is N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide is CCC(CC)C(C)NC(=O)c1cc(C)ccc1F.
What is the InChIKey of N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide?
The InChIKey is LFYKDUBIUYGHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-5-12(6-2)11(4)17-15(18)13-9-10(3)7-8-14(13)16/h7-9,11-12H,5-6H2,1-4H3,(H,17,18).
What are the key properties of N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide?
N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide has a molecular weight of 251.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 55260574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).