(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide

C18H21FN2O2 — CID 155203580

IUPAC(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](C2C=CC(OCc3ccccc3F)=CC2)N1
InChIInChI=1S/C18H21FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-5,7-8,12,16-17,21H,6,9-11H2,(H2,20,22)/t12?,16-,17+/m1/s1
InChIKeyVRGYNUICZWAUJN-CLFRDCOVSA-N
MW316.38 g/mol
LogP2.41
Rot. Bonds5

About (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide

(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide (PubChem CID 155203580) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide
PubChem CID155203580
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](C2C=CC(OCc3ccccc3F)=CC2)N1
InChIInChI=1S/C18H21FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-5,7-8,12,16-17,21H,6,9-11H2,(H2,20,22)/t12?,16-,17+/m1/s1
InChIKeyVRGYNUICZWAUJN-CLFRDCOVSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 134692551
5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide
CID 122578512
(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phosphanylpyrrolidine-2-carboxamide;(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide;methane;hydroiodide
CID 158797664
(2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide
CID 164788192
cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 161335491
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone
CID 122578531
(2-fluorophenyl)methyl piperidine-4-carboxylate
CID 63933211
(2-fluorophenyl)methyl 2-piperidin-3-ylacetate
CID 63932202
[3-[(2-fluorophenyl)methoxy]phenyl] carbamate
CID 175148405
(2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 63933032
(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
CID 81317645

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide (CID 155203580) is (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CC[C@H](C2C=CC(OCc3ccccc3F)=CC2)N1.
What is the InChIKey of (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide?
The InChIKey is VRGYNUICZWAUJN-CLFRDCOVSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-5,7-8,12,16-17,21H,6,9-11H2,(H2,20,22)/t12?,16-,17+/m1/s1.
What are the key properties of (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide?
(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155203580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).