N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide

C20H22FIN2O2 — CID 166090288

IUPACN-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide
SMILESO=C(Nc1cc(F)ccc1I)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C20H22FIN2O2/c21-16-6-9-18(22)19(14-16)23-20(25)15-4-7-17(8-5-15)26-13-12-24-10-2-1-3-11-24/h4-9,14H,1-3,10-13H2,(H,23,25)
InChIKeyKYRVBLSMNWCORG-UHFFFAOYSA-N
MW468.31 g/mol
LogP4.55
Rot. Bonds6

About N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide

N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 166090288) has the molecular formula C20H22FIN2O2 and a molecular weight of 468.31 g/mol. Its IUPAC name is N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide
PubChem CID166090288
Molecular FormulaC20H22FIN2O2
Molecular Weight468.31 g/mol
Exact Mass468.07
IUPAC NameN-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide
SMILESO=C(Nc1cc(F)ccc1I)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C20H22FIN2O2/c21-16-6-9-18(22)19(14-16)23-20(25)15-4-7-17(8-5-15)26-13-12-24-10-2-1-3-11-24/h4-9,14H,1-3,10-13H2,(H,23,25)
InChIKeyKYRVBLSMNWCORG-UHFFFAOYSA-N
XLogP4.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090227
N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434941
N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434898
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide
CID 166090293
N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434958
N-[2-amino-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 70206920
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide (CID 166090288) is N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide is O=C(Nc1cc(F)ccc1I)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is KYRVBLSMNWCORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FIN2O2/c21-16-6-9-18(22)19(14-16)23-20(25)15-4-7-17(8-5-15)26-13-12-24-10-2-1-3-11-24/h4-9,14H,1-3,10-13H2,(H,23,25).
What are the key properties of N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide?
N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 468.31 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 166090288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).