4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide

C14H17FINO2 — CID 113344764

IUPAC4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(F)cc1I
InChIInChI=1S/C14H17FINO2/c1-17(9-10-4-6-19-7-5-10)14(18)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7,9H2,1H3
InChIKeyPQHKTKQMCRTBHA-UHFFFAOYSA-N
MW377.20 g/mol
LogP2.93
Rot. Bonds3

About 4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide

4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 113344764) has the molecular formula C14H17FINO2 and a molecular weight of 377.20 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID113344764
Molecular FormulaC14H17FINO2
Molecular Weight377.20 g/mol
Exact Mass377.03
IUPAC Name4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(F)cc1I
InChIInChI=1S/C14H17FINO2/c1-17(9-10-4-6-19-7-5-10)14(18)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7,9H2,1H3
InChIKeyPQHKTKQMCRTBHA-UHFFFAOYSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 103720335
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726220
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 114037709
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 110875744
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 103881825
3-[(3-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914985
4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 115369278

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide (CID 113344764) is 4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide is CN(CC1CCOCC1)C(=O)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is PQHKTKQMCRTBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FINO2/c1-17(9-10-4-6-19-7-5-10)14(18)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide?
4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 377.20 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 113344764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).