3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide

C19H26FN3O4 — CID 70671899

IUPAC3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(OCF)c1)N[C@@H]1CCN(C2CCOCC2)C1
InChIInChI=1S/C19H26FN3O4/c20-13-27-17-3-1-2-14(10-17)19(25)21-11-18(24)22-15-4-7-23(12-15)16-5-8-26-9-6-16/h1-3,10,15-16H,4-9,11-13H2,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyNTXCLMIWCKTQDZ-OAHLLOKOSA-N
MW379.43 g/mol
LogP1.09
Rot. Bonds7

About 3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide

3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 70671899) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is 3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID70671899
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(OCF)c1)N[C@@H]1CCN(C2CCOCC2)C1
InChIInChI=1S/C19H26FN3O4/c20-13-27-17-3-1-2-14(10-17)19(25)21-11-18(24)22-15-4-7-23(12-15)16-5-8-26-9-6-16/h1-3,10,15-16H,4-9,11-13H2,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyNTXCLMIWCKTQDZ-OAHLLOKOSA-N
XLogP1.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(3R)-1-cyclohexylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 154542142
N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
CID 69435679
N-[2-[[(3R)-1-[1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-3-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 16666599
N-[2-oxo-2-[[(3R)-1-(1-phenylazepan-4-yl)pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 59150588
N-[2-[[(3R)-1-[4-hydroxy-4-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 66787544
3-(2-aminoethoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 118793810
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CID 59556137
N-[2-oxo-2-[[(3R)-1-[4-(2H-1,3-thiazol-3-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 141259343
N-[2-[[(3R)-1-(4-hydroxy-4-pyrimidin-4-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 57391768
N-[2-[[(3R)-1-[4-hydroxy-4-[5-(3-methoxyphenyl)-2-pyridinyl]cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 66787274
N-[2-[[1-[4-(4-acetylphenyl)-4-fluorocyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 162559759
N-[2-[[1-[4-(5-ethyl-1,3-thiazol-2-yl)-4-hydroxycyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 59556052

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide (CID 70671899) is 3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(OCF)c1)N[C@@H]1CCN(C2CCOCC2)C1.
What is the InChIKey of 3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is NTXCLMIWCKTQDZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26FN3O4/c20-13-27-17-3-1-2-14(10-17)19(25)21-11-18(24)22-15-4-7-23(12-15)16-5-8-26-9-6-16/h1-3,10,15-16H,4-9,11-13H2,(H,21,25)(H,22,24)/t15-/m1/s1.
What are the key properties of 3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide?
3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 379.43 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)-N-[2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 70671899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).