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

C12H14FIN2O — CID 79769596

IUPACN-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C12H14FIN2O/c1-7-9(4-5-15-7)12(17)16-11-3-2-8(13)6-10(11)14/h2-3,6-7,9,15H,4-5H2,1H3,(H,16,17)
InChIKeyMRCKRLKXFDQPDU-UHFFFAOYSA-N
MW348.16 g/mol
LogP2.37
Rot. Bonds2

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

N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79769596) has the molecular formula C12H14FIN2O and a molecular weight of 348.16 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79769596
Molecular FormulaC12H14FIN2O
Molecular Weight348.16 g/mol
Exact Mass348.01
IUPAC NameN-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C12H14FIN2O/c1-7-9(4-5-15-7)12(17)16-11-3-2-8(13)6-10(11)14/h2-3,6-7,9,15H,4-5H2,1H3,(H,16,17)
InChIKeyMRCKRLKXFDQPDU-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 52.37
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)-2-methylpyrrolidine-3-carboxamide
CID 79383629
N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388668
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107068357
N-(2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383626
6-[(4-fluoro-2-iodophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 79769289
2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 79389185
N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388995
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79766101
N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378337
N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 79766315

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide (CID 79769596) is N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is MRCKRLKXFDQPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FIN2O/c1-7-9(4-5-15-7)12(17)16-11-3-2-8(13)6-10(11)14/h2-3,6-7,9,15H,4-5H2,1H3,(H,16,17).
What are the key properties of N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide?
N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 348.16 g/mol, XLogP of 2.37, 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)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79769596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).