(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide

C14H17ClF2N2O5 — CID 11326065

IUPAC(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1.O=C(O)[C@H](O)c1cc(Cl)cc(OC(F)F)c1
InChIInChI=1S/C9H7ClF2O4.C5H10N2O/c10-5-1-4(7(13)8(14)15)2-6(3-5)16-9(11)12;6-5(8)4-2-1-3-7-4/h1-3,7,9,13H,(H,14,15);4,7H,1-3H2,(H2,6,8)/t7-;4-/m11/s1
InChIKeyNVVZIGLAHLJSSI-FGVGDJRVSA-N
MW366.75 g/mol
LogP1.28
Rot. Bonds5

About (2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide

(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide (PubChem CID 11326065) has the molecular formula C14H17ClF2N2O5 and a molecular weight of 366.75 g/mol. Its IUPAC name is (2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide
PubChem CID11326065
Molecular FormulaC14H17ClF2N2O5
Molecular Weight366.75 g/mol
Exact Mass366.08
IUPAC Name(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1.O=C(O)[C@H](O)c1cc(Cl)cc(OC(F)F)c1
InChIInChI=1S/C9H7ClF2O4.C5H10N2O/c10-5-1-4(7(13)8(14)15)2-6(3-5)16-9(11)12;6-5(8)4-2-1-3-7-4/h1-3,7,9,13H,(H,14,15);4,7H,1-3H2,(H2,6,8)/t7-;4-/m11/s1
InChIKeyNVVZIGLAHLJSSI-FGVGDJRVSA-N
XLogP1.28
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.75
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-5-methylphenyl)-2-hydroxyacetate;pyrrolidine-2-carboxamide
CID 159798086
(2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid
CID 11183620
chloromethane;(2R)-pyrrolidine-2-carboxamide
CID 143336240
pyrrolidine-2-carboxamide;dihydrobromide
CID 70056458
2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid;(2S)-pyrrolidine-2-carboxamide
CID 174681345
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71985278
(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 84588646
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271349
benzene-1,3-dicarboxylic acid;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one;(2S)-pyrrolidine-2-carboxamide
CID 157368519
2-[(R)-amino-(4-fluorophenyl)methyl]-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid
CID 139900728
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
(5-chloro-2-methoxy-3-propan-2-ylphenyl)-pyrrolidin-2-ylmethanone
CID 82552813

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide (CID 11326065) is (2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1.O=C(O)[C@H](O)c1cc(Cl)cc(OC(F)F)c1.
What is the InChIKey of (2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide?
The InChIKey is NVVZIGLAHLJSSI-FGVGDJRVSA-N. The full InChI is InChI=1S/C9H7ClF2O4.C5H10N2O/c10-5-1-4(7(13)8(14)15)2-6(3-5)16-9(11)12;6-5(8)4-2-1-3-7-4/h1-3,7,9,13H,(H,14,15);4,7H,1-3H2,(H2,6,8)/t7-;4-/m11/s1.
What are the key properties of (2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide?
(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide has a molecular weight of 366.75 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide is sourced from PubChem (CID 11326065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).