2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide

C19H17F5N2O2 — CID 122485930

IUPAC2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide
SMILESNC(=O)c1cc(F)c(OC[C@H]2CCCN2c2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C19H17F5N2O2/c20-15-9-17(16(21)8-14(15)18(25)27)28-10-13-2-1-7-26(13)12-5-3-11(4-6-12)19(22,23)24/h3-6,8-9,13H,1-2,7,10H2,(H2,25,27)/t13-/m1/s1
InChIKeyMHGYDCTVRKDRMV-CYBMUJFWSA-N
MW400.35 g/mol
LogP4.13
Rot. Bonds5

About 2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide

2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide (PubChem CID 122485930) has the molecular formula C19H17F5N2O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is 2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide
PubChem CID122485930
Molecular FormulaC19H17F5N2O2
Molecular Weight400.35 g/mol
Exact Mass400.12
IUPAC Name2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide
SMILESNC(=O)c1cc(F)c(OC[C@H]2CCCN2c2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C19H17F5N2O2/c20-15-9-17(16(21)8-14(15)18(25)27)28-10-13-2-1-7-26(13)12-5-3-11(4-6-12)19(22,23)24/h3-6,8-9,13H,1-2,7,10H2,(H2,25,27)/t13-/m1/s1
InChIKeyMHGYDCTVRKDRMV-CYBMUJFWSA-N
XLogP4.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-ethylsulfanyl-2-fluoro-4-[[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide
CID 145132004
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide
CID 145132006
2-[[(2S)-1-[(2E)-2-hydroxyiminopropyl]pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 87348036
5-chloro-2-fluoro-N-methylsulfanyl-4-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methoxy]benzamide
CID 145131812
3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62648788
4-[[(2R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidin-2-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 122485862
5-chloro-2-[[(2S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidin-2-yl]methoxy]-4-fluoro-N-methylsulfonylbenzamide
CID 155174104
4-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylbenzamide
CID 113284599
tert-butyl 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzoate
CID 66643189
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide
CID 145132178
2-[1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 51348447

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide?
The IUPAC name of 2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide (CID 122485930) is 2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide.
What is the SMILES notation for 2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide?
The canonical SMILES for 2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide is NC(=O)c1cc(F)c(OC[C@H]2CCCN2c2ccc(C(F)(F)F)cc2)cc1F.
What is the InChIKey of 2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide?
The InChIKey is MHGYDCTVRKDRMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17F5N2O2/c20-15-9-17(16(21)8-14(15)18(25)27)28-10-13-2-1-7-26(13)12-5-3-11(4-6-12)19(22,23)24/h3-6,8-9,13H,1-2,7,10H2,(H2,25,27)/t13-/m1/s1.
What are the key properties of 2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide?
2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide has a molecular weight of 400.35 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methoxy]benzamide is sourced from PubChem (CID 122485930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).