N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide

C16H18FN3O3 — CID 71861217

IUPACN-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(-n2cccc2)c1)N1CCOC(CO)C1
InChIInChI=1S/C16H18FN3O3/c17-14-4-3-12(9-15(14)19-5-1-2-6-19)18-16(22)20-7-8-23-13(10-20)11-21/h1-6,9,13,21H,7-8,10-11H2,(H,18,22)
InChIKeyDROXODDRZKBOJL-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.84
Rot. Bonds3

About N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide

N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide (PubChem CID 71861217) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
PubChem CID71861217
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC NameN-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(-n2cccc2)c1)N1CCOC(CO)C1
InChIInChI=1S/C16H18FN3O3/c17-14-4-3-12(9-15(14)19-5-1-2-6-19)18-16(22)20-7-8-23-13(10-20)11-21/h1-6,9,13,21H,7-8,10-11H2,(H,18,22)
InChIKeyDROXODDRZKBOJL-UHFFFAOYSA-N
XLogP1.84
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79831251
2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide
CID 79831809
[2-(hydroxymethyl)morpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 81209075
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid
CID 81197872
N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide
CID 71878315
N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 86987031
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
(2S)-2-(2-aminoethyl)-N-[4-(3-chlorophenyl)phenyl]morpholine-4-carboxamide
CID 125164851
(2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide
CID 92987988
2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81209303

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide (CID 71861217) is N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide is O=C(Nc1ccc(F)c(-n2cccc2)c1)N1CCOC(CO)C1.
What is the InChIKey of N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide?
The InChIKey is DROXODDRZKBOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-14-4-3-12(9-15(14)19-5-1-2-6-19)18-16(22)20-7-8-23-13(10-20)11-21/h1-6,9,13,21H,7-8,10-11H2,(H,18,22).
What are the key properties of N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide?
N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 71861217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).