(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide

C14H16F4N2O3 — CID 124741336

IUPAC(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1CCNC1
InChIInChI=1S/C14H16F4N2O3/c15-13(16)22-10-2-1-8(11(5-10)23-14(17)18)7-20-12(21)9-3-4-19-6-9/h1-2,5,9,13-14,19H,3-4,6-7H2,(H,20,21)/t9-/m1/s1
InChIKeyWEGVGCIOCVHROM-SECBINFHSA-N
MW336.29 g/mol
LogP2.12
Rot. Bonds7

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

(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 124741336) has the molecular formula C14H16F4N2O3 and a molecular weight of 336.29 g/mol. Its IUPAC name is (3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID124741336
Molecular FormulaC14H16F4N2O3
Molecular Weight336.29 g/mol
Exact Mass336.11
IUPAC Name(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1CCNC1
InChIInChI=1S/C14H16F4N2O3/c15-13(16)22-10-2-1-8(11(5-10)23-14(17)18)7-20-12(21)9-3-4-19-6-9/h1-2,5,9,13-14,19H,3-4,6-7H2,(H,20,21)/t9-/m1/s1
InChIKeyWEGVGCIOCVHROM-SECBINFHSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
CID 119338921
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119813987
(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 84588646
N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 119794497
(3S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 81133526
N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119339576
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide
CID 119816344
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide
CID 119285299
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide (CID 124741336) is (3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccc(OC(F)F)cc1OC(F)F)[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is WEGVGCIOCVHROM-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F4N2O3/c15-13(16)22-10-2-1-8(11(5-10)23-14(17)18)7-20-12(21)9-3-4-19-6-9/h1-2,5,9,13-14,19H,3-4,6-7H2,(H,20,21)/t9-/m1/s1.
What are the key properties of (3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide?
(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 336.29 g/mol, XLogP of 2.12, 7 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]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124741336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).