N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide

C15H22FN3O3 — CID 175412427

IUPACN-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)N(CC(O)CN)c1cccc(F)c1N1CCOCC1
InChIInChI=1S/C15H22FN3O3/c1-11(20)19(10-12(21)9-17)14-4-2-3-13(16)15(14)18-5-7-22-8-6-18/h2-4,12,21H,5-10,17H2,1H3
InChIKeyHMADHAFTAYLHQC-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.33
Rot. Bonds5

About N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide

N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide (PubChem CID 175412427) has the molecular formula C15H22FN3O3 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide
PubChem CID175412427
Molecular FormulaC15H22FN3O3
Molecular Weight311.36 g/mol
Exact Mass311.16
IUPAC NameN-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)N(CC(O)CN)c1cccc(F)c1N1CCOCC1
InChIInChI=1S/C15H22FN3O3/c1-11(20)19(10-12(21)9-17)14-4-2-3-13(16)15(14)18-5-7-22-8-6-18/h2-4,12,21H,5-10,17H2,1H3
InChIKeyHMADHAFTAYLHQC-UHFFFAOYSA-N
XLogP0.33
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 23278484
4-(2,6-difluorophenyl)morpholine;ethane
CID 156637338
3-fluoro-2-morpholin-4-ylbenzamide
CID 157343008
(3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid
CID 66700314
3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine
CID 170879139
3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 113126781
2-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113181389
4-(2-fluoro-6-isocyanatophenyl)morpholine
CID 22246705
3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113135341
2-(N-acetyl-2-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 113177265
ethyl N-[2-(N-acetyl-2-morpholin-4-ylanilino)ethyl]carbamate
CID 113062485
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(3-fluoro-2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate
CID 71656980

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide (CID 175412427) is N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide is CC(=O)N(CC(O)CN)c1cccc(F)c1N1CCOCC1.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide?
The InChIKey is HMADHAFTAYLHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3/c1-11(20)19(10-12(21)9-17)14-4-2-3-13(16)15(14)18-5-7-22-8-6-18/h2-4,12,21H,5-10,17H2,1H3.
What are the key properties of N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide?
N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide has a molecular weight of 311.36 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 175412427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).