N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride

C11H12ClF2IN2O2 — CID 119764589

IUPACN-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)c(I)c(F)c1)C1COCCN1
InChIInChI=1S/C11H11F2IN2O2.ClH/c12-7-3-6(4-8(13)10(7)14)16-11(17)9-5-18-2-1-15-9;/h3-4,9,15H,1-2,5H2,(H,16,17);1H
InChIKeyBRIZKZVFHONBJZ-UHFFFAOYSA-N
MW404.58 g/mol
LogP1.92
Rot. Bonds2

About N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride

N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride (PubChem CID 119764589) has the molecular formula C11H12ClF2IN2O2 and a molecular weight of 404.58 g/mol. Its IUPAC name is N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride
PubChem CID119764589
Molecular FormulaC11H12ClF2IN2O2
Molecular Weight404.58 g/mol
Exact Mass403.96
IUPAC NameN-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)c(I)c(F)c1)C1COCCN1
InChIInChI=1S/C11H11F2IN2O2.ClH/c12-7-3-6(4-8(13)10(7)14)16-11(17)9-5-18-2-1-15-9;/h3-4,9,15H,1-2,5H2,(H,16,17);1H
InChIKeyBRIZKZVFHONBJZ-UHFFFAOYSA-N
XLogP1.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-difluoro-4-iodophenyl)morpholine-3-carboxamide
CID 119764590
N-(3,5-difluoro-4-iodophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312522
N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide
CID 79049402
(2R,3S)-N-(3,5-difluoro-4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929742
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[4-[(2-fluorophenyl)methoxy]phenyl]morpholine-3-carboxamide
CID 119762553
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride
CID 119693674
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride (CID 119764589) is N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cc(F)c(I)c(F)c1)C1COCCN1.
What is the InChIKey of N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is BRIZKZVFHONBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2IN2O2.ClH/c12-7-3-6(4-8(13)10(7)14)16-11(17)9-5-18-2-1-15-9;/h3-4,9,15H,1-2,5H2,(H,16,17);1H.
What are the key properties of N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride?
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 404.58 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119764589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).