N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide

C14H19FN2O2 — CID 79388668

IUPACN-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)C1CCNC1C
InChIInChI=1S/C14H19FN2O2/c1-3-19-13-8-10(15)4-5-12(13)17-14(18)11-6-7-16-9(11)2/h4-5,8-9,11,16H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyUHLXBLSTHIDQFW-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.16
Rot. Bonds4

About N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide

N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388668) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79388668
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)C1CCNC1C
InChIInChI=1S/C14H19FN2O2/c1-3-19-13-8-10(15)4-5-12(13)17-14(18)11-6-7-16-9(11)2/h4-5,8-9,11,16H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyUHLXBLSTHIDQFW-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383629
N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79769596
N-(2-ethoxy-4-fluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428305
(1S,6S)-6-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94184974
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid
CID 79385111
N-(2-ethoxy-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259259
N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide
CID 107434659
N-(2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383626
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 119718548
N-(2-ethoxy-4-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423253

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide (CID 79388668) is N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide is CCOc1cc(F)ccc1NC(=O)C1CCNC1C.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is UHLXBLSTHIDQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-19-13-8-10(15)4-5-12(13)17-14(18)11-6-7-16-9(11)2/h4-5,8-9,11,16H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide?
N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).