N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

C15H22ClFN2O3 — CID 119785388

IUPACN-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cc(F)c(C(C)NC(=O)C2CCNC2)cc1OC.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-9(18-15(19)10-4-5-17-8-10)11-6-13(20-2)14(21-3)7-12(11)16;/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,18,19);1H
InChIKeyGIECWVYIEOCCTO-UHFFFAOYSA-N
MW332.80 g/mol
LogP2.05
Rot. Bonds5

About N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119785388) has the molecular formula C15H22ClFN2O3 and a molecular weight of 332.80 g/mol. Its IUPAC name is N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119785388
Molecular FormulaC15H22ClFN2O3
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC NameN-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cc(F)c(C(C)NC(=O)C2CCNC2)cc1OC.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-9(18-15(19)10-4-5-17-8-10)11-6-13(20-2)14(21-3)7-12(11)16;/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,18,19);1H
InChIKeyGIECWVYIEOCCTO-UHFFFAOYSA-N
XLogP2.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119785349
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide
CID 119324627
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
N-[(1S)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 95967411
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43709600
(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81124863
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide
CID 134068445
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 81123282
N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005842
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119785388) is N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is COc1cc(F)c(C(C)NC(=O)C2CCNC2)cc1OC.Cl.
What is the InChIKey of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is GIECWVYIEOCCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3.ClH/c1-9(18-15(19)10-4-5-17-8-10)11-6-13(20-2)14(21-3)7-12(11)16;/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 332.80 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119785388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).