(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

C14H16F4N2O3 — CID 84588646

IUPAC(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1CCCN1
InChIInChI=1S/C14H16F4N2O3/c15-13(16)22-9-4-3-8(11(6-9)23-14(17)18)7-20-12(21)10-2-1-5-19-10/h3-4,6,10,13-14,19H,1-2,5,7H2,(H,20,21)/t10-/m0/s1
InChIKeyWISHLFDHLZGEGL-JTQLQIEISA-N
MW336.29 g/mol
LogP2.26
Rot. Bonds7

About (2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 84588646) has the molecular formula C14H16F4N2O3 and a molecular weight of 336.29 g/mol. Its IUPAC name is (2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID84588646
Molecular FormulaC14H16F4N2O3
Molecular Weight336.29 g/mol
Exact Mass336.11
IUPAC Name(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1CCCN1
InChIInChI=1S/C14H16F4N2O3/c15-13(16)22-9-4-3-8(11(6-9)23-14(17)18)7-20-12(21)10-2-1-5-19-10/h3-4,6,10,13-14,19H,1-2,5,7H2,(H,20,21)/t10-/m0/s1
InChIKeyWISHLFDHLZGEGL-JTQLQIEISA-N
XLogP2.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61252076
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271349
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71985278
(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124741336
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119340121
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119285265
N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315072
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
CID 119338921
N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280684
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (CID 84588646) is (2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WISHLFDHLZGEGL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16F4N2O3/c15-13(16)22-9-4-3-8(11(6-9)23-14(17)18)7-20-12(21)10-2-1-5-19-10/h3-4,6,10,13-14,19H,1-2,5,7H2,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 336.29 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 84588646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).