(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide

C19H19FN2O2 — CID 92742007

IUPAC(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCCC[C@H](C(=O)Nc1ccc(F)cc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H19FN2O2/c1-2-5-17(18(23)21-15-10-8-14(20)9-11-15)22-12-13-6-3-4-7-16(13)19(22)24/h3-4,6-11,17H,2,5,12H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeySRCIPBFVMKPKLO-QGZVFWFLSA-N
MW326.37 g/mol
LogP3.59
Rot. Bonds5

About (2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide

(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 92742007) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID92742007
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCCC[C@H](C(=O)Nc1ccc(F)cc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H19FN2O2/c1-2-5-17(18(23)21-15-10-8-14(20)9-11-15)22-12-13-6-3-4-7-16(13)19(22)24/h3-4,6-11,17H,2,5,12H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeySRCIPBFVMKPKLO-QGZVFWFLSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 50757779
N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906050
(2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92721997
(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92741995
(2S)-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 54278547
(2S)-N-(4-acetamidophenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688818
(2S)-N-(4-bromophenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688824
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688946
(2R)-N-(3-chloro-4-fluorophenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688803
N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905754
(2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 40559094
(2S)-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 71754998

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide (CID 92742007) is (2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide is CCC[C@H](C(=O)Nc1ccc(F)cc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is SRCIPBFVMKPKLO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-2-5-17(18(23)21-15-10-8-14(20)9-11-15)22-12-13-6-3-4-7-16(13)19(22)24/h3-4,6-11,17H,2,5,12H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 326.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 92742007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).