N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide

C15H21FN2O3 — CID 61215363

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CC(OC)CN2)cc1F
InChIInChI=1S/C15H21FN2O3/c1-18(15(19)13-7-11(20-2)8-17-13)9-10-4-5-14(21-3)12(16)6-10/h4-6,11,13,17H,7-9H2,1-3H3
InChIKeyNPHWFIKIQTXCLN-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.17
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 61215363) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
PubChem CID61215363
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CC(OC)CN2)cc1F
InChIInChI=1S/C15H21FN2O3/c1-18(15(19)13-7-11(20-2)8-17-13)9-10-4-5-14(21-3)12(16)6-10/h4-6,11,13,17H,7-9H2,1-3H3
InChIKeyNPHWFIKIQTXCLN-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909471
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 124513193
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207
(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 128978970
3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119689736
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
(2R,4S)-N-[(5-chloro-2-methoxyphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138973
(2R,4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138507
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
CID 55012169
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60710815

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide (CID 61215363) is N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide is COc1ccc(CN(C)C(=O)C2CC(OC)CN2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is NPHWFIKIQTXCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-18(15(19)13-7-11(20-2)8-17-13)9-10-4-5-14(21-3)12(16)6-10/h4-6,11,13,17H,7-9H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61215363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).