N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide

C16H23FN2O2 — CID 124844222

IUPACN-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(F)ccc1NC(=O)CN1CC[C@@H](C(C)(C)O)C1
InChIInChI=1S/C16H23FN2O2/c1-11-8-13(17)4-5-14(11)18-15(20)10-19-7-6-12(9-19)16(2,3)21/h4-5,8,12,21H,6-7,9-10H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyFVSQTYCRHSLSBR-GFCCVEGCSA-N
MW294.37 g/mol
LogP2.17
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide

N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 124844222) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID124844222
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(F)ccc1NC(=O)CN1CC[C@@H](C(C)(C)O)C1
InChIInChI=1S/C16H23FN2O2/c1-11-8-13(17)4-5-14(11)18-15(20)10-19-7-6-12(9-19)16(2,3)21/h4-5,8,12,21H,6-7,9-10H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyFVSQTYCRHSLSBR-GFCCVEGCSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917861
N-(4-fluoro-2-methylphenyl)-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]acetamide
CID 124751259
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
N-(5-fluoro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51454328
N-(2-chloro-4-fluorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681562
N-(2,5-difluorophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267293
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731416
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,4-difluorophenyl)acetamide
CID 11940559
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114677873
2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 103898494
N-(4-bromo-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898013

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide (CID 124844222) is N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide is Cc1cc(F)ccc1NC(=O)CN1CC[C@@H](C(C)(C)O)C1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is FVSQTYCRHSLSBR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11-8-13(17)4-5-14(11)18-15(20)10-19-7-6-12(9-19)16(2,3)21/h4-5,8,12,21H,6-7,9-10H2,1-3H3,(H,18,20)/t12-/m1/s1.
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide?
N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 294.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124844222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).