(3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide

C18H24FN3O3 — CID 94656646

IUPAC(3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)C1
InChIInChI=1S/C18H24FN3O3/c19-15-3-1-14(2-4-15)18(6-9-25-10-7-18)12-21-17(24)22-8-5-13(11-22)16(20)23/h1-4,13H,5-12H2,(H2,20,23)(H,21,24)/t13-/m1/s1
InChIKeyGKNRCAFXMQTHSP-CYBMUJFWSA-N
MW349.41 g/mol
LogP1.39
Rot. Bonds4

About (3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide

(3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 94656646) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is (3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide
PubChem CID94656646
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name(3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)C1
InChIInChI=1S/C18H24FN3O3/c19-15-3-1-14(2-4-15)18(6-9-25-10-7-18)12-21-17(24)22-8-5-13(11-22)16(20)23/h1-4,13H,5-12H2,(H2,20,23)(H,21,24)/t13-/m1/s1
InChIKeyGKNRCAFXMQTHSP-CYBMUJFWSA-N
XLogP1.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443732
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896530
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 155949071
ethyl 1-[N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111155122
3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443730
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 113214326
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 75520862
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
(1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94614538
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877832

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide (CID 94656646) is (3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide is NC(=O)[C@@H]1CCN(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)C1.
What is the InChIKey of (3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is GKNRCAFXMQTHSP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-15-3-1-14(2-4-15)18(6-9-25-10-7-18)12-21-17(24)22-8-5-13(11-22)16(20)23/h1-4,13H,5-12H2,(H2,20,23)(H,21,24)/t13-/m1/s1.
What are the key properties of (3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide?
(3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 94656646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).