2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide

C22H24FN3O3 — CID 55698518

IUPAC2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C22H24FN3O3/c23-18-7-3-16(4-8-18)20-15-26(13-14-29-20)22(28)24-19-9-5-17(6-10-19)21(27)25-11-1-2-12-25/h3-10,20H,1-2,11-15H2,(H,24,28)
InChIKeyIKBLSAGFWPZLPL-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.67
Rot. Bonds3

About 2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide

2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide (PubChem CID 55698518) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
PubChem CID55698518
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C22H24FN3O3/c23-18-7-3-16(4-8-18)20-15-26(13-14-29-20)22(28)24-19-9-5-17(6-10-19)21(27)25-11-1-2-12-25/h3-10,20H,1-2,11-15H2,(H,24,28)
InChIKeyIKBLSAGFWPZLPL-UHFFFAOYSA-N
XLogP3.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
CID 55696920
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112825359
1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
CID 71898747
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
1-[4-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 38372185
N-[4-(2-phenylmorpholine-4-carbonyl)phenyl]benzamide
CID 42944919
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
N-(4-bromophenyl)-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112824347

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide (CID 55698518) is 2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide?
The InChIKey is IKBLSAGFWPZLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-18-7-3-16(4-8-18)20-15-26(13-14-29-20)22(28)24-19-9-5-17(6-10-19)21(27)25-11-1-2-12-25/h3-10,20H,1-2,11-15H2,(H,24,28).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide?
2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 55698518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).