(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide

C19H19FN2O2 — CID 92688661

IUPAC(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCC(C)[C@H](C(=O)Nc1cccc(F)c1)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H19FN2O2/c1-12(2)17(18(23)21-15-8-5-7-14(20)10-15)22-11-13-6-3-4-9-16(13)19(22)24/h3-10,12,17H,11H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyAZEMINHUYVCJAV-QGZVFWFLSA-N
MW326.37 g/mol
LogP3.44
Rot. Bonds4

About (2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide

(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide (PubChem CID 92688661) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
PubChem CID92688661
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCC(C)[C@H](C(=O)Nc1cccc(F)c1)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H19FN2O2/c1-12(2)17(18(23)21-15-8-5-7-14(20)10-15)22-11-13-6-3-4-9-16(13)19(22)24/h3-10,12,17H,11H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyAZEMINHUYVCJAV-QGZVFWFLSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(3-propanoylphenyl)butanamide
CID 146107614
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide
CID 29131248
N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906050
(2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 138019891
4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905757
(2S)-N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688866
4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 20905699
methyl (2S)-2-[6-[4-[(3-fluorophenyl)carbamothioylamino]phenyl]-3-oxo-1H-isoindol-2-yl]-3-methylbutanoate
CID 131731510
(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 129490780
(2R)-N-(3-methoxyphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688682
N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905614
(2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92721997

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The IUPAC name of (2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide (CID 92688661) is (2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide.
What is the SMILES notation for (2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The canonical SMILES for (2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide is CC(C)[C@H](C(=O)Nc1cccc(F)c1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The InChIKey is AZEMINHUYVCJAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12(2)17(18(23)21-15-8-5-7-14(20)10-15)22-11-13-6-3-4-9-16(13)19(22)24/h3-10,12,17H,11H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide has a molecular weight of 326.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide is sourced from PubChem (CID 92688661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).