2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide

C16H21F3N2O3 — CID 96528871

IUPAC2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide
SMILESC[C@@H]1COCCN1[C@@H](C)CNC(=O)c1ccc(F)cc1OC(F)F
InChIInChI=1S/C16H21F3N2O3/c1-10(21-5-6-23-9-11(21)2)8-20-15(22)13-4-3-12(17)7-14(13)24-16(18)19/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3,(H,20,22)/t10-,11+/m0/s1
InChIKeyJEDVWXZFHOOBLV-WDEREUQCSA-N
MW346.35 g/mol
LogP2.27
Rot. Bonds6

About 2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide

2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide (PubChem CID 96528871) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide
PubChem CID96528871
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide
SMILESC[C@@H]1COCCN1[C@@H](C)CNC(=O)c1ccc(F)cc1OC(F)F
InChIInChI=1S/C16H21F3N2O3/c1-10(21-5-6-23-9-11(21)2)8-20-15(22)13-4-3-12(17)7-14(13)24-16(18)19/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3,(H,20,22)/t10-,11+/m0/s1
InChIKeyJEDVWXZFHOOBLV-WDEREUQCSA-N
XLogP2.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one
CID 43796403
3-methyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-nitrobenzamide
CID 95339521
3-(difluoromethoxy)-N-[2-(3-methylmorpholin-4-yl)propyl]-4-nitroaniline
CID 133352666
4-(2,5-difluorophenyl)-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 109450574
2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 86941061
3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
CID 98799112
cis-(1S,2R)-2-methyl-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]cyclopropane-1-carboxamide
CID 124803825
(2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119364700
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(difluoromethoxy)-4-fluorobenzamide
CID 71977709
4-(2,2-difluoroethyl)-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-1,4-diazepane-1-carboxamide
CID 124734013
3-(4-ethoxyphenyl)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
CID 95326565
(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide
CID 129423990

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide (CID 96528871) is 2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide is C[C@@H]1COCCN1[C@@H](C)CNC(=O)c1ccc(F)cc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide?
The InChIKey is JEDVWXZFHOOBLV-WDEREUQCSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-10(21-5-6-23-9-11(21)2)8-20-15(22)13-4-3-12(17)7-14(13)24-16(18)19/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3,(H,20,22)/t10-,11+/m0/s1.
What are the key properties of 2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide?
2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide has a molecular weight of 346.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide is sourced from PubChem (CID 96528871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).