N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide

C22H25FN2O3 — CID 46046531

IUPACN-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide
SMILESCCC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H25FN2O3/c1-2-21(26)25(16-18-4-3-5-19(23)14-18)20-8-6-17(7-9-20)15-22(27)24-10-12-28-13-11-24/h3-9,14H,2,10-13,15-16H2,1H3
InChIKeyKTUVNGANPHFLPX-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.17
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide

N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide (PubChem CID 46046531) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide
PubChem CID46046531
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide
SMILESCCC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H25FN2O3/c1-2-21(26)25(16-18-4-3-5-19(23)14-18)20-8-6-17(7-9-20)15-22(27)24-10-12-28-13-11-24/h3-9,14H,2,10-13,15-16H2,1H3
InChIKeyKTUVNGANPHFLPX-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46046855
N-[(3-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045881
4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 46046558
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide
CID 46046700
(E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide
CID 46046494
ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate
CID 46046679
N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 55682732
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide
CID 46046882
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
N-[[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]oxan-4-yl]methyl]-N-phenylpropanamide
CID 126539476
3-(3-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110604595

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide (CID 46046531) is N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide is CCC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide?
The InChIKey is KTUVNGANPHFLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-2-21(26)25(16-18-4-3-5-19(23)14-18)20-8-6-17(7-9-20)15-22(27)24-10-12-28-13-11-24/h3-9,14H,2,10-13,15-16H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide?
N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide has a molecular weight of 384.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide is sourced from PubChem (CID 46046531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).