4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide

C14H18FIN2O — CID 103806776

IUPAC4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(F)cc1I
InChIInChI=1S/C14H18FIN2O/c15-11-3-4-12(13(16)8-11)14(19)18-7-5-10-2-1-6-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyNWAONBUDTYFAES-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.55
Rot. Bonds4

About 4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide

4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 103806776) has the molecular formula C14H18FIN2O and a molecular weight of 376.21 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID103806776
Molecular FormulaC14H18FIN2O
Molecular Weight376.21 g/mol
Exact Mass376.04
IUPAC Name4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(F)cc1I
InChIInChI=1S/C14H18FIN2O/c15-11-3-4-12(13(16)8-11)14(19)18-7-5-10-2-1-6-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyNWAONBUDTYFAES-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
2-(2,4-difluorophenyl)-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119557840

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide (CID 103806776) is 4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide is O=C(NCCC1CCCNC1)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is NWAONBUDTYFAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FIN2O/c15-11-3-4-12(13(16)8-11)14(19)18-7-5-10-2-1-6-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2,(H,18,19).
What are the key properties of 4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide?
4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 376.21 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 103806776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).