(3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide

C14H18F2N2O3 — CID 97252909

IUPAC(3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(OC(F)F)c(CN2CC[C@@H](C(N)=O)C2)c1
InChIInChI=1S/C14H18F2N2O3/c1-20-11-2-3-12(21-14(15)16)10(6-11)8-18-5-4-9(7-18)13(17)19/h2-3,6,9,14H,4-5,7-8H2,1H3,(H2,17,19)/t9-/m1/s1
InChIKeyRWTHFPMOPPGQLT-SECBINFHSA-N
MW300.31 g/mol
LogP1.60
Rot. Bonds6

About (3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide

(3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 97252909) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is (3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID97252909
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name(3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(OC(F)F)c(CN2CC[C@@H](C(N)=O)C2)c1
InChIInChI=1S/C14H18F2N2O3/c1-20-11-2-3-12(21-14(15)16)10(6-11)8-18-5-4-9(7-18)13(17)19/h2-3,6,9,14H,4-5,7-8H2,1H3,(H2,17,19)/t9-/m1/s1
InChIKeyRWTHFPMOPPGQLT-SECBINFHSA-N
XLogP1.60
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646
(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 27267231
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 43226156
1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006056
1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65323136
(3S)-1-[(2,5-dichloro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 97332108
1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 75438342
(3S,4R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770236
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
methyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 102878542
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75501255

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide (CID 97252909) is (3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide is COc1ccc(OC(F)F)c(CN2CC[C@@H](C(N)=O)C2)c1.
What is the InChIKey of (3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is RWTHFPMOPPGQLT-SECBINFHSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-20-11-2-3-12(21-14(15)16)10(6-11)8-18-5-4-9(7-18)13(17)19/h2-3,6,9,14H,4-5,7-8H2,1H3,(H2,17,19)/t9-/m1/s1.
What are the key properties of (3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide?
(3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97252909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).