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

C11H11F2IN2O2 — CID 119764590

IUPACN-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide
SMILESO=C(Nc1cc(F)c(I)c(F)c1)C1COCCN1
InChIInChI=1S/C11H11F2IN2O2/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)
InChIKeyMDYZOKOKNWIHQP-UHFFFAOYSA-N
MW368.12 g/mol
LogP1.50
Rot. Bonds2

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

N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide (PubChem CID 119764590) has the molecular formula C11H11F2IN2O2 and a molecular weight of 368.12 g/mol. Its IUPAC name is N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide
PubChem CID119764590
Molecular FormulaC11H11F2IN2O2
Molecular Weight368.12 g/mol
Exact Mass367.98
IUPAC NameN-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide
SMILESO=C(Nc1cc(F)c(I)c(F)c1)C1COCCN1
InChIInChI=1S/C11H11F2IN2O2/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)
InChIKeyMDYZOKOKNWIHQP-UHFFFAOYSA-N
XLogP1.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.12
LogP ≤ 51.50
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;hydrochloride
CID 119764589
N-(3-fluoro-5-methylphenyl)morpholine-3-carboxamide
CID 79049402
N-(3,5-difluoro-4-iodophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312522
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
N-[4-[(2-fluorophenyl)methoxy]phenyl]morpholine-3-carboxamide
CID 119762553
(2R,3S)-N-(3,5-difluoro-4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929742
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide
CID 119312519
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide (CID 119764590) is N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide is O=C(Nc1cc(F)c(I)c(F)c1)C1COCCN1.
What is the InChIKey of N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide?
The InChIKey is MDYZOKOKNWIHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2IN2O2/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).
What are the key properties of N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide?
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide has a molecular weight of 368.12 g/mol, XLogP of 1.50, 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 is sourced from PubChem (CID 119764590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).