(2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C19H21FN2O3 — CID 111104603

IUPAC(2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc(F)cc2)c1)N1CCC[C@H]1CO
InChIInChI=1S/C19H21FN2O3/c20-15-8-6-14(7-9-15)13-25-18-5-1-3-16(11-18)21-19(24)22-10-2-4-17(22)12-23/h1,3,5-9,11,17,23H,2,4,10,12-13H2,(H,21,24)/t17-/m0/s1
InChIKeyPAQYLERWVKXLJA-KRWDZBQOSA-N
MW344.39 g/mol
LogP3.39
Rot. Bonds5

About (2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111104603) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111104603
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc(F)cc2)c1)N1CCC[C@H]1CO
InChIInChI=1S/C19H21FN2O3/c20-15-8-6-14(7-9-15)13-25-18-5-1-3-16(11-18)21-19(24)22-10-2-4-17(22)12-23/h1,3,5-9,11,17,23H,2,4,10,12-13H2,(H,21,24)/t17-/m0/s1
InChIKeyPAQYLERWVKXLJA-KRWDZBQOSA-N
XLogP3.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
2-(2-amino-2-oxoethyl)-N-(3-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 72885918
(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 72849322
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
CID 110601869
N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43061762
(2R)-N-(4-bromo-3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75468005
N-[3-(difluoromethylsulfanyl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 72691279
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 71845869
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
2-(3-fluorophenoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260737

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111104603) is (2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C(Nc1cccc(OCc2ccc(F)cc2)c1)N1CCC[C@H]1CO.
What is the InChIKey of (2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is PAQYLERWVKXLJA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-15-8-6-14(7-9-15)13-25-18-5-1-3-16(11-18)21-19(24)22-10-2-4-17(22)12-23/h1,3,5-9,11,17,23H,2,4,10,12-13H2,(H,21,24)/t17-/m0/s1.
What are the key properties of (2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111104603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).