4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide

C22H23FN2O3 — CID 172888597

IUPAC4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide
SMILESC=CC(=O)N1CCOC(CNC(=O)c2ccc(Cc3cccc(F)c3)cc2)C1
InChIInChI=1S/C22H23FN2O3/c1-2-21(26)25-10-11-28-20(15-25)14-24-22(27)18-8-6-16(7-9-18)12-17-4-3-5-19(23)13-17/h2-9,13,20H,1,10-12,14-15H2,(H,24,27)
InChIKeyAANHGECJZDBJKB-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.56
Rot. Bonds6

About 4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide

4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide (PubChem CID 172888597) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide
PubChem CID172888597
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide
SMILESC=CC(=O)N1CCOC(CNC(=O)c2ccc(Cc3cccc(F)c3)cc2)C1
InChIInChI=1S/C22H23FN2O3/c1-2-21(26)25-10-11-28-20(15-25)14-24-22(27)18-8-6-16(7-9-18)12-17-4-3-5-19(23)13-17/h2-9,13,20H,1,10-12,14-15H2,(H,24,27)
InChIKeyAANHGECJZDBJKB-UHFFFAOYSA-N
XLogP2.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 58933722
1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea
CID 139015420
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide
CID 172888596
2-(3-fluorophenyl)-N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 110710034
(4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 58933856
2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81209303
(4-fluorophenyl)methyl (7R)-7-[[(4-hydroxybenzoyl)amino]methyl]-1,4-oxazepane-4-carboxylate
CID 58933863
N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
CID 172889629
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27809540
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide
CID 45243375
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide (CID 172888597) is 4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide is C=CC(=O)N1CCOC(CNC(=O)c2ccc(Cc3cccc(F)c3)cc2)C1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide?
The InChIKey is AANHGECJZDBJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-2-21(26)25-10-11-28-20(15-25)14-24-22(27)18-8-6-16(7-9-18)12-17-4-3-5-19(23)13-17/h2-9,13,20H,1,10-12,14-15H2,(H,24,27).
What are the key properties of 4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide?
4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide has a molecular weight of 382.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 172888597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).