2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide

C22H24FN3O3 — CID 3953635

IUPAC2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide
SMILESO=C(Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCC1)c1ccccc1F
InChIInChI=1S/C22H24FN3O3/c23-18-6-2-1-5-17(18)21(27)24-19-15-16(22(28)26-11-13-29-14-12-26)7-8-20(19)25-9-3-4-10-25/h1-2,5-8,15H,3-4,9-14H2,(H,24,27)
InChIKeyBKFRGTWHTJNZKK-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.15
Rot. Bonds4

About 2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide

2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide (PubChem CID 3953635) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide
PubChem CID3953635
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide
SMILESO=C(Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCC1)c1ccccc1F
InChIInChI=1S/C22H24FN3O3/c23-18-6-2-1-5-17(18)21(27)24-19-15-16(22(28)26-11-13-29-14-12-26)7-8-20(19)25-9-3-4-10-25/h1-2,5-8,15H,3-4,9-14H2,(H,24,27)
InChIKeyBKFRGTWHTJNZKK-UHFFFAOYSA-N
XLogP3.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052916
2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400396
2-fluoro-N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092591
2-fluoro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide
CID 45498204
2-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055001
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
CID 40642475
4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid
CID 46285283
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678325
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 126498755
4-chloro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678327
3-[(2-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146053623

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide (CID 3953635) is 2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide is O=C(Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide?
The InChIKey is BKFRGTWHTJNZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-18-6-2-1-5-17(18)21(27)24-19-15-16(22(28)26-11-13-29-14-12-26)7-8-20(19)25-9-3-4-10-25/h1-2,5-8,15H,3-4,9-14H2,(H,24,27).
What are the key properties of 2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide?
2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide has a molecular weight of 397.45 g/mol, XLogP of 3.15, 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-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide is sourced from PubChem (CID 3953635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).