3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide

C14H19BrFNO — CID 113244906

IUPAC3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFNO/c1-4-14(5-2,6-3)17-13(18)10-7-8-12(16)11(15)9-10/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyZGEYTFUNKAFYTF-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.29
Rot. Bonds5

About 3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide

3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide (PubChem CID 113244906) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide
PubChem CID113244906
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFNO/c1-4-14(5-2,6-3)17-13(18)10-7-8-12(16)11(15)9-10/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyZGEYTFUNKAFYTF-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

Analyze 3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944773
3-bromo-4-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]benzamide
CID 107956471
N-(3-ethylpentan-3-yl)-3-fluoro-4-nitrobenzamide
CID 65038833
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-fluoro-3-methylbenzamide
CID 114010919
5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide
CID 65041076
3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide
CID 107951863
4-bromo-N-[3-(bromomethyl)pentan-3-yl]-3-(trifluoromethyl)benzamide
CID 114315241
3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide
CID 62517240
4-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-(trifluoromethyl)benzamide
CID 107867621
4-bromo-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 81295658
N-(1-amino-2-cyclopropylpropan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119575379
N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 65042721

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide (CID 113244906) is 3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide is CCC(CC)(CC)NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide?
The InChIKey is ZGEYTFUNKAFYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-4-14(5-2,6-3)17-13(18)10-7-8-12(16)11(15)9-10/h7-9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide?
3-bromo-N-(3-ethylpentan-3-yl)-4-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 3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 113244906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).