4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide

C13H17FINO — CID 103839185

IUPAC4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccc(F)cc1I
InChIInChI=1S/C13H17FINO/c1-8(2)6-9(3)16-13(17)11-5-4-10(14)7-12(11)15/h4-5,7-9H,6H2,1-3H3,(H,16,17)
InChIKeyCCVSASDFDPWOTG-UHFFFAOYSA-N
MW349.19 g/mol
LogP3.59
Rot. Bonds4

About 4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide

4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide (PubChem CID 103839185) has the molecular formula C13H17FINO and a molecular weight of 349.19 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide
PubChem CID103839185
Molecular FormulaC13H17FINO
Molecular Weight349.19 g/mol
Exact Mass349.03
IUPAC Name4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccc(F)cc1I
InChIInChI=1S/C13H17FINO/c1-8(2)6-9(3)16-13(17)11-5-4-10(14)7-12(11)15/h4-5,7-9H,6H2,1-3H3,(H,16,17)
InChIKeyCCVSASDFDPWOTG-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide
CID 103708356
5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 61146087
4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
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2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride
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CID 114029156
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide
CID 103799326
4-fluoro-2-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 114029293
4-fluoro-2-iodo-N',N'-dimethylbenzohydrazide
CID 103626497
4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 55688167
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103642131

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide (CID 103839185) is 4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)NC(=O)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is CCVSASDFDPWOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FINO/c1-8(2)6-9(3)16-13(17)11-5-4-10(14)7-12(11)15/h4-5,7-9H,6H2,1-3H3,(H,16,17).
What are the key properties of 4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide?
4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 349.19 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 103839185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).