N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide

C18H20Cl2N2O3 — CID 42989877

IUPACN-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C18H20Cl2N2O3/c1-10(16(23)21-9-11-5-3-2-4-6-11)22-17(24)12-7-14(19)15(20)8-13(12)18(22)25/h7-8,10-11H,2-6,9H2,1H3,(H,21,23)
InChIKeyGFLBUNRRHGMIAN-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.67
Rot. Bonds4

About N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide

N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 42989877) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID42989877
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC NameN-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C18H20Cl2N2O3/c1-10(16(23)21-9-11-5-3-2-4-6-11)22-17(24)12-7-14(19)15(20)8-13(12)18(22)25/h7-8,10-11H,2-6,9H2,1H3,(H,21,23)
InChIKeyGFLBUNRRHGMIAN-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.67
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

(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 7610446
N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 39211611
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 55877600
(2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)propanamide
CID 7611305
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538910
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate
CID 8752316
trans-(1S,2R)-2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 108755781
ethyl N-[1-[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate
CID 55673573
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 7864798
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 7751170
(2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 41143654
N-(cyclohexylmethyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877674

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide (CID 42989877) is N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide is CC(C(=O)NCC1CCCCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is GFLBUNRRHGMIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-10(16(23)21-9-11-5-3-2-4-6-11)22-17(24)12-7-14(19)15(20)8-13(12)18(22)25/h7-8,10-11H,2-6,9H2,1H3,(H,21,23).
What are the key properties of N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide?
N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 383.28 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 42989877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).