(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide

C18H21FN2O2 — CID 129434086

IUPAC(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide
SMILESC[C@H](C(=O)NC1(c2ccc(F)cc2)CCOCC1)n1cccc1
InChIInChI=1S/C18H21FN2O2/c1-14(21-10-2-3-11-21)17(22)20-18(8-12-23-13-9-18)15-4-6-16(19)7-5-15/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyXJPHXXATPOKIFN-CQSZACIVSA-N
MW316.38 g/mol
LogP3.01
Rot. Bonds4

About (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide

(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide (PubChem CID 129434086) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide
PubChem CID129434086
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide
SMILESC[C@H](C(=O)NC1(c2ccc(F)cc2)CCOCC1)n1cccc1
InChIInChI=1S/C18H21FN2O2/c1-14(21-10-2-3-11-21)17(22)20-18(8-12-23-13-9-18)15-4-6-16(19)7-5-15/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyXJPHXXATPOKIFN-CQSZACIVSA-N
XLogP3.01
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide
CID 146085233
(2R)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]propanamide
CID 119318315
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
CID 166403727
(2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide
CID 110482510
N-[1-(4-chlorophenyl)cyclopropyl]-2-morpholin-4-ylpropanamide
CID 110446378
1-(2-chlorophenyl)-N-[4-(4-fluorophenyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 86897729
(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129402235
N-[1-(4-fluorophenyl)cyclopentyl]-2-methyl-3-(methylamino)propanamide
CID 119752714
cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
CID 126798249
N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide
CID 71684215
(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
CID 97064291
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide?
The IUPAC name of (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide (CID 129434086) is (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide is C[C@H](C(=O)NC1(c2ccc(F)cc2)CCOCC1)n1cccc1.
What is the InChIKey of (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide?
The InChIKey is XJPHXXATPOKIFN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-14(21-10-2-3-11-21)17(22)20-18(8-12-23-13-9-18)15-4-6-16(19)7-5-15/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide?
(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide has a molecular weight of 316.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 129434086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).