N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide

C13H16FIN2O — CID 107068357

IUPACN-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C13H16FIN2O/c1-8-3-2-6-16-12(8)13(18)17-11-5-4-9(14)7-10(11)15/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyKZWJIVCQZHTZKY-UHFFFAOYSA-N
MW362.19 g/mol
LogP2.76
Rot. Bonds2

About N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide

N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide (PubChem CID 107068357) has the molecular formula C13H16FIN2O and a molecular weight of 362.19 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
PubChem CID107068357
Molecular FormulaC13H16FIN2O
Molecular Weight362.19 g/mol
Exact Mass362.03
IUPAC NameN-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C13H16FIN2O/c1-8-3-2-6-16-12(8)13(18)17-11-5-4-9(14)7-10(11)15/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyKZWJIVCQZHTZKY-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107625589
N-(2-bromo-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107625732
N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79769596
5-iodo-2-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107068158
N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 114257371
4-fluoro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067490
N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 114262076
2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067256
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067123
3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide
CID 107641806
N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107365880

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide (CID 107068357) is N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is KZWJIVCQZHTZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FIN2O/c1-8-3-2-6-16-12(8)13(18)17-11-5-4-9(14)7-10(11)15/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18).
What are the key properties of N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide?
N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 362.19 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107068357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).