N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide

C12H13F2IN2O — CID 119312519

IUPACN-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(F)c(I)c(F)c1)C1CCNCC1
InChIInChI=1S/C12H13F2IN2O/c13-9-5-8(6-10(14)11(9)15)17-12(18)7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H,17,18)
InChIKeyICOHYVIMNSDXSW-UHFFFAOYSA-N
MW366.15 g/mol
LogP2.51
Rot. Bonds2

About N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide

N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide (PubChem CID 119312519) has the molecular formula C12H13F2IN2O and a molecular weight of 366.15 g/mol. Its IUPAC name is N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide
PubChem CID119312519
Molecular FormulaC12H13F2IN2O
Molecular Weight366.15 g/mol
Exact Mass366.00
IUPAC NameN-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(F)c(I)c(F)c1)C1CCNCC1
InChIInChI=1S/C12H13F2IN2O/c13-9-5-8(6-10(14)11(9)15)17-12(18)7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H,17,18)
InChIKeyICOHYVIMNSDXSW-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.15
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708015
3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119764593
N-(3,5-difluoro-4-iodophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312522
5-(piperidine-4-carbonylamino)benzene-1,3-dicarboxamide
CID 61276320
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide
CID 119764590
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate
CID 43707540
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride
CID 119764589

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide (CID 119312519) is N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide is O=C(Nc1cc(F)c(I)c(F)c1)C1CCNCC1.
What is the InChIKey of N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide?
The InChIKey is ICOHYVIMNSDXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2IN2O/c13-9-5-8(6-10(14)11(9)15)17-12(18)7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H,17,18).
What are the key properties of N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide?
N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide has a molecular weight of 366.15 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119312519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).