N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide

C11H12FIN2O2 — CID 79766971

IUPACN-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1I)N1CCOCC1
InChIInChI=1S/C11H12FIN2O2/c12-8-1-2-10(9(13)7-8)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16)
InChIKeyIJRBQTBLHDJSKP-UHFFFAOYSA-N
MW350.13 g/mol
LogP2.29
Rot. Bonds1

About N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide

N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide (PubChem CID 79766971) has the molecular formula C11H12FIN2O2 and a molecular weight of 350.13 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide
PubChem CID79766971
Molecular FormulaC11H12FIN2O2
Molecular Weight350.13 g/mol
Exact Mass349.99
IUPAC NameN-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1I)N1CCOCC1
InChIInChI=1S/C11H12FIN2O2/c12-8-1-2-10(9(13)7-8)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16)
InChIKeyIJRBQTBLHDJSKP-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.13
LogP ≤ 52.29
H-Bond Donors ≤ 51
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-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 79766315
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide
CID 103755867
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
5-fluoro-2-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 62967632
2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one
CID 79768931
N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 17425435
1-[(4-fluoro-2-iodophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 79767001
N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide
CID 79156204
N-(2-fluoro-3-methylphenyl)morpholine-4-carboxamide
CID 166178432
1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79766101
2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22268773

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide (CID 79766971) is N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide is O=C(Nc1ccc(F)cc1I)N1CCOCC1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide?
The InChIKey is IJRBQTBLHDJSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FIN2O2/c12-8-1-2-10(9(13)7-8)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16).
What are the key properties of N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide?
N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide has a molecular weight of 350.13 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 79766971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).