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

C17H16FIN2O2 — CID 55696920

IUPAC2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H16FIN2O2/c18-13-3-1-12(2-4-13)16-11-21(9-10-23-16)17(22)20-15-7-5-14(19)6-8-15/h1-8,16H,9-11H2,(H,20,22)
InChIKeyNQTGPXWLGMKXKP-UHFFFAOYSA-N
MW426.23 g/mol
LogP4.04
Rot. Bonds2

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

2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide (PubChem CID 55696920) has the molecular formula C17H16FIN2O2 and a molecular weight of 426.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
PubChem CID55696920
Molecular FormulaC17H16FIN2O2
Molecular Weight426.23 g/mol
Exact Mass426.02
IUPAC Name2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H16FIN2O2/c18-13-3-1-12(2-4-13)16-11-21(9-10-23-16)17(22)20-15-7-5-14(19)6-8-15/h1-8,16H,9-11H2,(H,20,22)
InChIKeyNQTGPXWLGMKXKP-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.23
LogP ≤ 54.04
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

2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 55698518
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 95134155
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
CID 56527681
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
N-[4-[(E)-3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 134044371
[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
CID 78950100
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide (CID 55696920) is 2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide is O=C(Nc1ccc(I)cc1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide?
The InChIKey is NQTGPXWLGMKXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FIN2O2/c18-13-3-1-12(2-4-13)16-11-21(9-10-23-16)17(22)20-15-7-5-14(19)6-8-15/h1-8,16H,9-11H2,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide?
2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide has a molecular weight of 426.23 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 55696920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).