(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

C14H19FN2O2 — CID 103794212

IUPAC(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)[C@H]2CCCN2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-9(17-14(18)12-4-3-7-16-12)10-5-6-13(19-2)11(15)8-10/h5-6,8-9,12,16H,3-4,7H2,1-2H3,(H,17,18)/t9?,12-/m1/s1
InChIKeyPCTANQYGFJXMHE-FFFFSGIJSA-N
MW266.32 g/mol
LogP1.76
Rot. Bonds4

About (2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 103794212) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID103794212
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)[C@H]2CCCN2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-9(17-14(18)12-4-3-7-16-12)10-5-6-13(19-2)11(15)8-10/h5-6,8-9,12,16H,3-4,7H2,1-2H3,(H,17,18)/t9?,12-/m1/s1
InChIKeyPCTANQYGFJXMHE-FFFFSGIJSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 43709599
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119289128
N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119269548
(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694031
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43709600
(2S)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694047
(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81124863
(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119292618
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
(2S)-N-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 99852704
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119287617
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide
CID 119324627

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 103794212) is (2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is COc1ccc(C(C)NC(=O)[C@H]2CCCN2)cc1F.
What is the InChIKey of (2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is PCTANQYGFJXMHE-FFFFSGIJSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(17-14(18)12-4-3-7-16-12)10-5-6-13(19-2)11(15)8-10/h5-6,8-9,12,16H,3-4,7H2,1-2H3,(H,17,18)/t9?,12-/m1/s1.
What are the key properties of (2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103794212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).