3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide

C15H20FN3O3 — CID 39980651

IUPAC3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide
SMILESNC(=O)CCN(C(=O)CN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O3/c16-12-1-3-13(4-2-12)19(6-5-14(17)20)15(21)11-18-7-9-22-10-8-18/h1-4H,5-11H2,(H2,17,20)
InChIKeyYKCIVMVPTIQHIR-UHFFFAOYSA-N
MW309.34 g/mol
LogP0.37
Rot. Bonds6

About 3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide

3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide (PubChem CID 39980651) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide
PubChem CID39980651
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide
SMILESNC(=O)CCN(C(=O)CN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O3/c16-12-1-3-13(4-2-12)19(6-5-14(17)20)15(21)11-18-7-9-22-10-8-18/h1-4H,5-11H2,(H2,17,20)
InChIKeyYKCIVMVPTIQHIR-UHFFFAOYSA-N
XLogP0.37
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide
CID 39980549
3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide
CID 55471071
3-(4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]anilino)propanamide
CID 37375870
3-(4-fluoro-N-[2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]anilino)propanamide
CID 35162340
3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide
CID 55506228
3-(4-fluoro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]acetyl]anilino)propanamide
CID 46662570
3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide
CID 47035121
4-fluoro-N-(2-morpholin-4-ylethyl)-N-phenylbenzamide
CID 134025432
3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide
CID 24585303
3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
CID 17419390
3-(N-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-fluoroanilino)propanamide
CID 27310160
3-(N-[2-[4-(2-nitrophenyl)piperazin-1-yl]acetyl]anilino)propanamide
CID 34690444

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide?
The IUPAC name of 3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide (CID 39980651) is 3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide.
What is the SMILES notation for 3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide?
The canonical SMILES for 3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide is NC(=O)CCN(C(=O)CN1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide?
The InChIKey is YKCIVMVPTIQHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c16-12-1-3-13(4-2-12)19(6-5-14(17)20)15(21)11-18-7-9-22-10-8-18/h1-4H,5-11H2,(H2,17,20).
What are the key properties of 3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide?
3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide has a molecular weight of 309.34 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-(2-morpholin-4-ylacetyl)anilino)propanamide is sourced from PubChem (CID 39980651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).