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

C21H24FN3O2 — CID 110400396

IUPAC2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(N2CCOCC2)ccc1N1CCCC1)c1ccccc1F
InChIInChI=1S/C21H24FN3O2/c22-18-6-2-1-5-17(18)21(26)23-19-15-16(24-11-13-27-14-12-24)7-8-20(19)25-9-3-4-10-25/h1-2,5-8,15H,3-4,9-14H2,(H,23,26)
InChIKeyITLXQVBFUONOTD-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.51
Rot. Bonds4

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

2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 110400396) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID110400396
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(N2CCOCC2)ccc1N1CCCC1)c1ccccc1F
InChIInChI=1S/C21H24FN3O2/c22-18-6-2-1-5-17(18)21(26)23-19-15-16(24-11-13-27-14-12-24)7-8-20(19)25-9-3-4-10-25/h1-2,5-8,15H,3-4,9-14H2,(H,23,26)
InChIKeyITLXQVBFUONOTD-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

2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
3-[(2-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052916
2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide
CID 3953635
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400397
2-fluoro-N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092591
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 110400478
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide (CID 110400396) is 2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1cc(N2CCOCC2)ccc1N1CCCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is ITLXQVBFUONOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-18-6-2-1-5-17(18)21(26)23-19-15-16(24-11-13-27-14-12-24)7-8-20(19)25-9-3-4-10-25/h1-2,5-8,15H,3-4,9-14H2,(H,23,26).
What are the key properties of 2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide?
2-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 2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 110400396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).