(2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone

C19H19F2NO3 — CID 95165164

IUPAC(2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C[C@@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)cc1
InChIInChI=1S/C19H19F2NO3/c1-25-15-6-4-12(5-7-15)9-14-3-2-8-22(14)19(24)18-16(21)10-13(20)11-17(18)23/h4-7,10-11,14,23H,2-3,8-9H2,1H3/t14-/m0/s1
InChIKeyRBSCKBFFAUUWFU-AWEZNQCLSA-N
MW347.36 g/mol
LogP3.53
Rot. Bonds4

About (2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone

(2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 95165164) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is (2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
PubChem CID95165164
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name(2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C[C@@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)cc1
InChIInChI=1S/C19H19F2NO3/c1-25-15-6-4-12(5-7-15)9-14-3-2-8-22(14)19(24)18-16(21)10-13(20)11-17(18)23/h4-7,10-11,14,23H,2-3,8-9H2,1H3/t14-/m0/s1
InChIKeyRBSCKBFFAUUWFU-AWEZNQCLSA-N
XLogP3.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94620742
[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820329
(2,4-difluoro-6-hydroxyphenyl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 86861764
1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one
CID 55805360
tert-butyl 2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 155598499
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100163
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
[2-(2-chloroethyl)pyrrolidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 112748279
(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 94451985
2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide
CID 47280768
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
CID 94805691

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone (CID 95165164) is (2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone is COc1ccc(C[C@@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)cc1.
What is the InChIKey of (2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is RBSCKBFFAUUWFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19F2NO3/c1-25-15-6-4-12(5-7-15)9-14-3-2-8-22(14)19(24)18-16(21)10-13(20)11-17(18)23/h4-7,10-11,14,23H,2-3,8-9H2,1H3/t14-/m0/s1.
What are the key properties of (2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
(2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 347.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95165164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).