N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide

C14H19FN2O2 — CID 111333977

IUPACN-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CC[C@H](O)C2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9-3-4-13(12(15)7-9)16-14(19)10(2)17-6-5-11(18)8-17/h3-4,7,10-11,18H,5-6,8H2,1-2H3,(H,16,19)/t10?,11-/m0/s1
InChIKeyMHBLIXFTFPQSPQ-DTIOYNMSSA-N
MW266.32 g/mol
LogP1.53
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide

N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide (PubChem CID 111333977) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
PubChem CID111333977
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CC[C@H](O)C2)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9-3-4-13(12(15)7-9)16-14(19)10(2)17-6-5-11(18)8-17/h3-4,7,10-11,18H,5-6,8H2,1-2H3,(H,16,19)/t10?,11-/m0/s1
InChIKeyMHBLIXFTFPQSPQ-DTIOYNMSSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 86993661
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851243
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444011
N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 43575281
N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333976
N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110020032
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide (CID 111333977) is N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide is Cc1ccc(NC(=O)C(C)N2CC[C@H](O)C2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
The InChIKey is MHBLIXFTFPQSPQ-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-3-4-13(12(15)7-9)16-14(19)10(2)17-6-5-11(18)8-17/h3-4,7,10-11,18H,5-6,8H2,1-2H3,(H,16,19)/t10?,11-/m0/s1.
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide has a molecular weight of 266.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide is sourced from PubChem (CID 111333977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).