3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide

C21H24FN3O2 — CID 110400397

IUPAC3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(N2CCOCC2)ccc1N1CCCC1)c1cccc(F)c1
InChIInChI=1S/C21H24FN3O2/c22-17-5-3-4-16(14-17)21(26)23-19-15-18(24-10-12-27-13-11-24)6-7-20(19)25-8-1-2-9-25/h3-7,14-15H,1-2,8-13H2,(H,23,26)
InChIKeyLMXMEOLNBZLNLX-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.51
Rot. Bonds4

About 3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide

3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 110400397) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID110400397
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(N2CCOCC2)ccc1N1CCCC1)c1cccc(F)c1
InChIInChI=1S/C21H24FN3O2/c22-17-5-3-4-16(14-17)21(26)23-19-15-18(24-10-12-27-13-11-24)6-7-20(19)25-8-1-2-9-25/h3-7,14-15H,1-2,8-13H2,(H,23,26)
InChIKeyLMXMEOLNBZLNLX-UHFFFAOYSA-N
XLogP3.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455
3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092337
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445
2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400396
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 110400478
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide (CID 110400397) is 3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1cc(N2CCOCC2)ccc1N1CCCC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is LMXMEOLNBZLNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-17-5-3-4-16(14-17)21(26)23-19-15-18(24-10-12-27-13-11-24)6-7-20(19)25-8-1-2-9-25/h3-7,14-15H,1-2,8-13H2,(H,23,26).
What are the key properties of 3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide?
3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 369.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 110400397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).