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

C14H19FINO — CID 103708356

IUPAC4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide
SMILESCCC(C)CC(C)NC(=O)c1ccc(F)cc1I
InChIInChI=1S/C14H19FINO/c1-4-9(2)7-10(3)17-14(18)12-6-5-11(15)8-13(12)16/h5-6,8-10H,4,7H2,1-3H3,(H,17,18)
InChIKeySMTJHJPZCJDVDP-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.98
Rot. Bonds5

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

4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide (PubChem CID 103708356) has the molecular formula C14H19FINO and a molecular weight of 363.21 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide
PubChem CID103708356
Molecular FormulaC14H19FINO
Molecular Weight363.21 g/mol
Exact Mass363.05
IUPAC Name4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide
SMILESCCC(C)CC(C)NC(=O)c1ccc(F)cc1I
InChIInChI=1S/C14H19FINO/c1-4-9(2)7-10(3)17-14(18)12-6-5-11(15)8-13(12)16/h5-6,8-10H,4,7H2,1-3H3,(H,17,18)
InChIKeySMTJHJPZCJDVDP-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.98
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-methylpentan-2-yl)benzamide
CID 103839185
2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide
CID 79721645
N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119995600
4-fluoro-2-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 114029293
N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839
N-(4-methylhexan-2-yl)-2-sulfanylbenzamide
CID 107031346
4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 47220104
2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide
CID 113246368
4-amino-2-[(4-fluoro-2-iodobenzoyl)amino]-4-oxobutanoic acid
CID 114029156
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide
CID 103799326
4-fluoro-2-iodo-N',N'-dimethylbenzohydrazide
CID 103626497
N-butan-2-yl-2-iodobenzamide
CID 3344108

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide (CID 103708356) is 4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide is CCC(C)CC(C)NC(=O)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide?
The InChIKey is SMTJHJPZCJDVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FINO/c1-4-9(2)7-10(3)17-14(18)12-6-5-11(15)8-13(12)16/h5-6,8-10H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide?
4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide has a molecular weight of 363.21 g/mol, XLogP of 3.98, 5 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-methylhexan-2-yl)benzamide is sourced from PubChem (CID 103708356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).