N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide

C19H26FN3O2 — CID 96526024

IUPACN-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)cn1
InChIInChI=1S/C19H26FN3O2/c1-19(2,3)17(13-25-16-8-6-5-7-15(16)20)22-18(24)10-9-14-11-21-23(4)12-14/h5-8,11-12,17H,9-10,13H2,1-4H3,(H,22,24)/t17-/m0/s1
InChIKeyGAIPKZCFFVADKN-KRWDZBQOSA-N
MW347.43 g/mol
LogP3.10
Rot. Bonds7

About N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide

N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 96526024) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID96526024
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)cn1
InChIInChI=1S/C19H26FN3O2/c1-19(2,3)17(13-25-16-8-6-5-7-15(16)20)22-18(24)10-9-14-11-21-23(4)12-14/h5-8,11-12,17H,9-10,13H2,1-4H3,(H,22,24)/t17-/m0/s1
InChIKeyGAIPKZCFFVADKN-KRWDZBQOSA-N
XLogP3.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide
CID 86940685
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(furan-2-yl)propanamide
CID 86940639
N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide
CID 86941025
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 25281555
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]thiomorpholine-4-carboxamide
CID 86941232
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96526002
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 86940734
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2H-triazole-4-carboxamide
CID 96527038
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 86941007
4-[3-(1-methylpyrazol-4-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201149
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]acetamide
CID 86941016
2,2-dichloro-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 86940721

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide (CID 96526024) is N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)cn1.
What is the InChIKey of N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is GAIPKZCFFVADKN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-19(2,3)17(13-25-16-8-6-5-7-15(16)20)22-18(24)10-9-14-11-21-23(4)12-14/h5-8,11-12,17H,9-10,13H2,1-4H3,(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 347.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 96526024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).