4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

C16H22FIN2O — CID 47040952

IUPAC4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCCN1CCCNC(=O)c1ccc(F)cc1I
InChIInChI=1S/C16H22FIN2O/c1-12-5-2-3-9-20(12)10-4-8-19-16(21)14-7-6-13(17)11-15(14)18/h6-7,11-12H,2-5,8-10H2,1H3,(H,19,21)
InChIKeyMYGOHTAMGUDKMN-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.42
Rot. Bonds5

About 4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 47040952) has the molecular formula C16H22FIN2O and a molecular weight of 404.27 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
PubChem CID47040952
Molecular FormulaC16H22FIN2O
Molecular Weight404.27 g/mol
Exact Mass404.08
IUPAC Name4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCCN1CCCNC(=O)c1ccc(F)cc1I
InChIInChI=1S/C16H22FIN2O/c1-12-5-2-3-9-20(12)10-4-8-19-16(21)14-7-6-13(17)11-15(14)18/h6-7,11-12H,2-5,8-10H2,1H3,(H,19,21)
InChIKeyMYGOHTAMGUDKMN-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
4-bromo-N-[3-(2-methylpiperidin-1-yl)propyl]-2-sulfanylbenzamide
CID 107020528
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472517
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 9472975
2-(4-fluorophenyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
CID 9473131
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 95281410
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (CID 47040952) is 4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is CC1CCCCN1CCCNC(=O)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is MYGOHTAMGUDKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FIN2O/c1-12-5-2-3-9-20(12)10-4-8-19-16(21)14-7-6-13(17)11-15(14)18/h6-7,11-12H,2-5,8-10H2,1H3,(H,19,21).
What are the key properties of 4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 404.27 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 47040952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).