N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide

C16H23FN2O2 — CID 94094576

IUPACN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESCC(C)N(C)c1ccc(NC(=O)C[C@H]2CCCO2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-11(2)19(3)15-7-6-12(9-14(15)17)18-16(20)10-13-5-4-8-21-13/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyNSQZMQKQMXZOGH-CYBMUJFWSA-N
MW294.37 g/mol
LogP3.18
Rot. Bonds5

About N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide

N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide (PubChem CID 94094576) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide
PubChem CID94094576
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESCC(C)N(C)c1ccc(NC(=O)C[C@H]2CCCO2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-11(2)19(3)15-7-6-12(9-14(15)17)18-16(20)10-13-5-4-8-21-13/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyNSQZMQKQMXZOGH-CYBMUJFWSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide
CID 64618160
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid
CID 107792703
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide
CID 79200604
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155493
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61430870
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155965
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide?
The IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide (CID 94094576) is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide is CC(C)N(C)c1ccc(NC(=O)C[C@H]2CCCO2)cc1F.
What is the InChIKey of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide?
The InChIKey is NSQZMQKQMXZOGH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(2)19(3)15-7-6-12(9-14(15)17)18-16(20)10-13-5-4-8-21-13/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide?
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide has a molecular weight of 294.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide is sourced from PubChem (CID 94094576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).