5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide

C14H19BrFNO — CID 65041076

IUPAC5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide
SMILESCCC(CC)(CC)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFNO/c1-4-14(5-2,6-3)17-13(18)11-9-10(15)7-8-12(11)16/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyWFDDVJLIDUFLLE-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.29
Rot. Bonds5

About 5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide

5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide (PubChem CID 65041076) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide
PubChem CID65041076
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide
SMILESCCC(CC)(CC)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFNO/c1-4-14(5-2,6-3)17-13(18)11-9-10(15)7-8-12(11)16/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyWFDDVJLIDUFLLE-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[3-(chloromethyl)pentan-3-yl]-2-fluorobenzamide
CID 113273352
5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzamide
CID 107844804
N-[3-(aminomethyl)pentan-3-yl]-2,5-difluorobenzamide
CID 63766299
3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide
CID 113244906
5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103919695
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide
CID 62522095
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-fluorobenzamide;hydrochloride
CID 119570891
4-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxybenzamide
CID 114010991
5-bromo-2-fluoro-N-pentan-2-ylbenzamide
CID 24700042
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-fluorobenzamide
CID 107868190
2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)-2-ethylbutan-1-one
CID 116603875

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide (CID 65041076) is 5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide is CCC(CC)(CC)NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide?
The InChIKey is WFDDVJLIDUFLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-4-14(5-2,6-3)17-13(18)11-9-10(15)7-8-12(11)16/h7-9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide?
5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide has a molecular weight of 316.21 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 65041076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).