2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide

C14H20FNO — CID 62513013

IUPAC2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C14H20FNO/c1-5-10(3)11(4)16-14(17)12-8-9(2)6-7-13(12)15/h6-8,10-11H,5H2,1-4H3,(H,16,17)
InChIKeyHMURGHISYPGOGW-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.30
Rot. Bonds4

About 2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide

2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide (PubChem CID 62513013) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
PubChem CID62513013
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C14H20FNO/c1-5-10(3)11(4)16-14(17)12-8-9(2)6-7-13(12)15/h6-8,10-11H,5H2,1-4H3,(H,16,17)
InChIKeyHMURGHISYPGOGW-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide
CID 55260574
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
2-fluoro-5-methyl-N-pent-1-yn-3-ylbenzamide
CID 103579381
2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
CID 62660589
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
5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide
CID 63843251
2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
CID 103764241
(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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide (CID 62513013) is 2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide is CCC(C)C(C)NC(=O)c1cc(C)ccc1F.
What is the InChIKey of 2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide?
The InChIKey is HMURGHISYPGOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-5-10(3)11(4)16-14(17)12-8-9(2)6-7-13(12)15/h6-8,10-11H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide?
2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide has a molecular weight of 237.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide is sourced from PubChem (CID 62513013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).