(2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide

C20H20Cl2N2O2 — CID 40559094

IUPAC(2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCC(C)C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H20Cl2N2O2/c1-12(2)7-18(19(25)23-16-9-14(21)8-15(22)10-16)24-11-13-5-3-4-6-17(13)20(24)26/h3-6,8-10,12,18H,7,11H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyHXVSFUMPKMDZBC-GOSISDBHSA-N
MW391.30 g/mol
LogP5.00
Rot. Bonds5

About (2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide

(2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 40559094) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is (2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID40559094
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name(2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCC(C)C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H20Cl2N2O2/c1-12(2)7-18(19(25)23-16-9-14(21)8-15(22)10-16)24-11-13-5-3-4-6-17(13)20(24)26/h3-6,8-10,12,18H,7,11H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyHXVSFUMPKMDZBC-GOSISDBHSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905754
(2S)-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 71754998
4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905757
(2R)-N-(3-methoxyphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688682
4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 20905699
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 7062090
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905716
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 39348917
(2S)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 71964724
(2S)-N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1112281
(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92742007
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide
CID 92688715

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of (2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide (CID 40559094) is (2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for (2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for (2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide is CC(C)C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is HXVSFUMPKMDZBC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-12(2)7-18(19(25)23-16-9-14(21)8-15(22)10-16)24-11-13-5-3-4-6-17(13)20(24)26/h3-6,8-10,12,18H,7,11H2,1-2H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
(2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 391.30 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 40559094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).