N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide

C14H18F2N2O3 — CID 119285265

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN2)cc1OC(F)F
InChIInChI=1S/C14H18F2N2O3/c1-20-11-5-4-9(7-12(11)21-14(15)16)8-18-13(19)10-3-2-6-17-10/h4-5,7,10,14,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyVIZLOPPNRXNAIO-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.66
Rot. Bonds6

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119285265) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID119285265
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN2)cc1OC(F)F
InChIInChI=1S/C14H18F2N2O3/c1-20-11-5-4-9(7-12(11)21-14(15)16)8-18-13(19)10-3-2-6-17-10/h4-5,7,10,14,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyVIZLOPPNRXNAIO-UHFFFAOYSA-N
XLogP1.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119295341
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271349
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
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119340121
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61252076
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide (CID 119285265) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide is COc1ccc(CNC(=O)C2CCCN2)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VIZLOPPNRXNAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-20-11-5-4-9(7-12(11)21-14(15)16)8-18-13(19)10-3-2-6-17-10/h4-5,7,10,14,17H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119285265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).