(3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide

C13H14F4N2O4 — CID 124615460

IUPAC(3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1CC[C@@H](O)C1
InChIInChI=1S/C13H14F4N2O4/c14-11(15)22-8-1-2-9(10(5-8)23-12(16)17)18-13(21)19-4-3-7(20)6-19/h1-2,5,7,11-12,20H,3-4,6H2,(H,18,21)/t7-/m1/s1
InChIKeyAENMNMKEESBEGZ-SSDOTTSWSA-N
MW338.26 g/mol
LogP2.49
Rot. Bonds5

About (3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide

(3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 124615460) has the molecular formula C13H14F4N2O4 and a molecular weight of 338.26 g/mol. Its IUPAC name is (3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID124615460
Molecular FormulaC13H14F4N2O4
Molecular Weight338.26 g/mol
Exact Mass338.09
IUPAC Name(3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1CC[C@@H](O)C1
InChIInChI=1S/C13H14F4N2O4/c14-11(15)22-8-1-2-9(10(5-8)23-12(16)17)18-13(21)19-4-3-7(20)6-19/h1-2,5,7,11-12,20H,3-4,6H2,(H,18,21)/t7-/m1/s1
InChIKeyAENMNMKEESBEGZ-SSDOTTSWSA-N
XLogP2.49
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122076306
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092933
N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75520270
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674092
1-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031385
(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide
CID 95665624
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092940
[2-(difluoromethoxy)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029867
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide (CID 124615460) is (3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide is O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is AENMNMKEESBEGZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H14F4N2O4/c14-11(15)22-8-1-2-9(10(5-8)23-12(16)17)18-13(21)19-4-3-7(20)6-19/h1-2,5,7,11-12,20H,3-4,6H2,(H,18,21)/t7-/m1/s1.
What are the key properties of (3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
(3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 338.26 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 124615460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).