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

C17H18Cl2N2O3 — CID 7610446

IUPAC(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C17H18Cl2N2O3/c1-9(15(22)20-10-5-3-2-4-6-10)21-16(23)11-7-13(18)14(19)8-12(11)17(21)24/h7-10H,2-6H2,1H3,(H,20,22)/t9-/m0/s1
InChIKeyALYAZMXRGVOLFR-VIFPVBQESA-N
MW369.25 g/mol
LogP3.43
Rot. Bonds3

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

(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 7610446) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID7610446
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCCCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C17H18Cl2N2O3/c1-9(15(22)20-10-5-3-2-4-6-10)21-16(23)11-7-13(18)14(19)8-12(11)17(21)24/h7-10H,2-6H2,1H3,(H,20,22)/t9-/m0/s1
InChIKeyALYAZMXRGVOLFR-VIFPVBQESA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.43
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-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 42989877
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
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
CID 115579378
(2S)-N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]propanamide
CID 98304488
N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 9172413
2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19533698
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 43056010
1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
CID 108872072
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 51140735
N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 2708398
2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
CID 115569478

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide (CID 7610446) is (2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide is C[C@@H](C(=O)NC1CCCCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of (2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is ALYAZMXRGVOLFR-VIFPVBQESA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-9(15(22)20-10-5-3-2-4-6-10)21-16(23)11-7-13(18)14(19)8-12(11)17(21)24/h7-10H,2-6H2,1H3,(H,20,22)/t9-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide?
(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 369.25 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 7610446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).