N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide

C17H25FN2O — CID 67773483

IUPACN-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)C(CN2CCC2)C(C)C)ccc1F
InChIInChI=1S/C17H25FN2O/c1-12(2)16(11-20-8-5-9-20)19(4)17(21)14-6-7-15(18)13(3)10-14/h6-7,10,12,16H,5,8-9,11H2,1-4H3
InChIKeyREPPMPWDQPISPI-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.94
Rot. Bonds5

About N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide

N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide (PubChem CID 67773483) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
PubChem CID67773483
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)C(CN2CCC2)C(C)C)ccc1F
InChIInChI=1S/C17H25FN2O/c1-12(2)16(11-20-8-5-9-20)19(4)17(21)14-6-7-15(18)13(3)10-14/h6-7,10,12,16H,5,8-9,11H2,1-4H3
InChIKeyREPPMPWDQPISPI-UHFFFAOYSA-N
XLogP2.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide
CID 77352384
2,2-dihydroxybutanedioic acid;4-fluoro-N,3-dimethyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 67774412
4-fluoro-N,3-dimethyl-N-[(3R)-4-methyl-1-pyrrolidin-1-ylpentan-3-yl]benzamide
CID 67773776
N-[1-(4-cyanopiperidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
CID 67772411
N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773094
4-fluoro-N-[(2S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67772635
4-chloro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773337
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67773038
N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide
CID 67774408
N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-bromo-N-methylbenzamide;N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-bromo-N-methylbenzamide;2,3-dihydroxybutanedioic acid
CID 173339527
N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 67774195
1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 82122225

Frequently Asked Questions

What is the IUPAC name of N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide?
The IUPAC name of N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide (CID 67773483) is N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide is Cc1cc(C(=O)N(C)C(CN2CCC2)C(C)C)ccc1F.
What is the InChIKey of N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide?
The InChIKey is REPPMPWDQPISPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12(2)16(11-20-8-5-9-20)19(4)17(21)14-6-7-15(18)13(3)10-14/h6-7,10,12,16H,5,8-9,11H2,1-4H3.
What are the key properties of N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide?
N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide has a molecular weight of 292.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 67773483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).