3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide

C15H21BrFNO — CID 107951723

IUPAC3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H21BrFNO/c1-10(2)6-4-7-11(3)18-15(19)12-8-5-9-13(16)14(12)17/h5,8-11H,4,6-7H2,1-3H3,(H,18,19)
InChIKeyJGCOVPCXAYXWGG-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.53
Rot. Bonds6

About 3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide

3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide (PubChem CID 107951723) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
PubChem CID107951723
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H21BrFNO/c1-10(2)6-4-7-11(3)18-15(19)12-8-5-9-13(16)14(12)17/h5,8-11H,4,6-7H2,1-3H3,(H,18,19)
InChIKeyJGCOVPCXAYXWGG-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(5-chloropentan-2-yl)-2-fluorobenzamide
CID 107956694
3-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 106547482
3-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluorobenzamide
CID 106544532
3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 106544298
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106355254
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
CID 107949095
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460
3-bromo-N-(1,1-dimethoxypropan-2-yl)-2-fluorobenzamide
CID 107951282
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide
CID 107956167
2-[(3-bromo-2-fluorobenzoyl)amino]hexanoic acid
CID 107948998

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide (CID 107951723) is 3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide is CC(C)CCCC(C)NC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide?
The InChIKey is JGCOVPCXAYXWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-10(2)6-4-7-11(3)18-15(19)12-8-5-9-13(16)14(12)17/h5,8-11H,4,6-7H2,1-3H3,(H,18,19).
What are the key properties of 3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide?
3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide has a molecular weight of 330.24 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide is sourced from PubChem (CID 107951723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).