N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide

C11H12FIN2O — CID 75433885

IUPACN-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1I)N1CCCC1
InChIInChI=1S/C11H12FIN2O/c12-8-4-3-5-9(10(8)13)14-11(16)15-6-1-2-7-15/h3-5H,1-2,6-7H2,(H,14,16)
InChIKeyRLUMBEGHZHRLCD-UHFFFAOYSA-N
MW334.13 g/mol
LogP3.06
Rot. Bonds1

About N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide

N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide (PubChem CID 75433885) has the molecular formula C11H12FIN2O and a molecular weight of 334.13 g/mol. Its IUPAC name is N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide
PubChem CID75433885
Molecular FormulaC11H12FIN2O
Molecular Weight334.13 g/mol
Exact Mass334.00
IUPAC NameN-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1I)N1CCCC1
InChIInChI=1S/C11H12FIN2O/c12-8-4-3-5-9(10(8)13)14-11(16)15-6-1-2-7-15/h3-5H,1-2,6-7H2,(H,14,16)
InChIKeyRLUMBEGHZHRLCD-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide
CID 78954561
N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide
CID 79156097
(3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone
CID 155803238
N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide
CID 81310935
N-(2,3,4-trifluorophenyl)azepane-1-carboxamide
CID 47193814
2-(azocane-1-carbonylamino)-3-fluorobenzoic acid
CID 81498589
N-(3-hydroxy-2-methylphenyl)piperidine-1-carboxamide
CID 79155888
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 103886195
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
CID 134177696
N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
CID 47032428

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide (CID 75433885) is N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide is O=C(Nc1cccc(F)c1I)N1CCCC1.
What is the InChIKey of N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide?
The InChIKey is RLUMBEGHZHRLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FIN2O/c12-8-4-3-5-9(10(8)13)14-11(16)15-6-1-2-7-15/h3-5H,1-2,6-7H2,(H,14,16).
What are the key properties of N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide?
N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide has a molecular weight of 334.13 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75433885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).