(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide

C20H18Cl2N2O3 — CID 8760285

IUPAC(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H18Cl2N2O3/c1-11(2)9-17(18(25)23-16-10-12(21)7-8-15(16)22)24-19(26)13-5-3-4-6-14(13)20(24)27/h3-8,10-11,17H,9H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyNTAYDSAJYXOTMP-QGZVFWFLSA-N
MW405.28 g/mol
LogP4.64
Rot. Bonds5

About (2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide

(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (PubChem CID 8760285) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is (2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
PubChem CID8760285
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Name(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H18Cl2N2O3/c1-11(2)9-17(18(25)23-16-10-12(21)7-8-15(16)22)24-19(26)13-5-3-4-6-14(13)20(24)27/h3-8,10-11,17H,9H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyNTAYDSAJYXOTMP-QGZVFWFLSA-N
XLogP4.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493
N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2901149
(2S)-N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1112281
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2420991
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
CID 7067644
(2S)-N-(3-chloro-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1217246
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylpentanamide
CID 8714159
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 55917080
4-chloro-2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylsulfanylpropanoyl]amino]benzoic acid
CID 41094779
(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 7605329
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide
CID 4070544
(2R)-N-(5-chloro-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 8502417

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (CID 8760285) is (2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.
What is the SMILES notation for (2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The canonical SMILES for (2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is CC(C)C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The InChIKey is NTAYDSAJYXOTMP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c1-11(2)9-17(18(25)23-16-10-12(21)7-8-15(16)22)24-19(26)13-5-3-4-6-14(13)20(24)27/h3-8,10-11,17H,9H2,1-2H3,(H,23,25)/t17-/m1/s1.
What are the key properties of (2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide has a molecular weight of 405.28 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is sourced from PubChem (CID 8760285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).