2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide

C21H26FN3O3 — CID 95869156

IUPAC2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide
SMILESCC(=O)c1cc(CN2CCOC[C@@H]2CC(=O)Nc2cccc(F)c2C)n(C)c1
InChIInChI=1S/C21H26FN3O3/c1-14-19(22)5-4-6-20(14)23-21(27)10-18-13-28-8-7-25(18)12-17-9-16(15(2)26)11-24(17)3/h4-6,9,11,18H,7-8,10,12-13H2,1-3H3,(H,23,27)/t18-/m0/s1
InChIKeyKSRYLEZNUOEHLM-SFHVURJKSA-N
MW387.46 g/mol
LogP2.90
Rot. Bonds6

About 2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide

2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide (PubChem CID 95869156) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide
PubChem CID95869156
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide
SMILESCC(=O)c1cc(CN2CCOC[C@@H]2CC(=O)Nc2cccc(F)c2C)n(C)c1
InChIInChI=1S/C21H26FN3O3/c1-14-19(22)5-4-6-20(14)23-21(27)10-18-13-28-8-7-25(18)12-17-9-16(15(2)26)11-24(17)3/h4-6,9,11,18H,7-8,10,12-13H2,1-3H3,(H,23,27)/t18-/m0/s1
InChIKeyKSRYLEZNUOEHLM-SFHVURJKSA-N
XLogP2.90
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S,3aR,7aR)-3-(4-fluorophenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide
CID 110148336
N-(2-fluorophenyl)-3-[3-[2-(furan-2-yl)-2-oxoethyl]morpholin-4-yl]propanamide
CID 154750383
1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 113322039
3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide
CID 56914703
2-[(3S)-4-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)morpholin-3-yl]-N-(2-fluorophenyl)acetamide
CID 95871729
2-[4-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)morpholin-3-yl]-N-(2-fluorophenyl)acetamide
CID 56897625
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83099905
N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide
CID 172887206
N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide
CID 56897356
N-(2-amino-5-fluorophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43612167
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83099915
2-[4-(2-ethoxypyridine-3-carbonyl)morpholin-3-yl]-N-(2-fluorophenyl)acetamide
CID 56890708

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide (CID 95869156) is 2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide is CC(=O)c1cc(CN2CCOC[C@@H]2CC(=O)Nc2cccc(F)c2C)n(C)c1.
What is the InChIKey of 2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide?
The InChIKey is KSRYLEZNUOEHLM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-14-19(22)5-4-6-20(14)23-21(27)10-18-13-28-8-7-25(18)12-17-9-16(15(2)26)11-24(17)3/h4-6,9,11,18H,7-8,10,12-13H2,1-3H3,(H,23,27)/t18-/m0/s1.
What are the key properties of 2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide?
2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-[(4-acetyl-1-methylpyrrol-2-yl)methyl]morpholin-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 95869156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).