N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide

C23H23ClN2O4 — CID 108764722

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C23H23ClN2O4/c24-15-9-10-20-18(14-15)19(11-13-30-20)25-21(27)8-2-1-5-12-26-22(28)16-6-3-4-7-17(16)23(26)29/h3-4,6-7,9-10,14,19H,1-2,5,8,11-13H2,(H,25,27)
InChIKeyYXYLZKGLGQGJAY-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.14
Rot. Bonds7

About N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide (PubChem CID 108764722) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
PubChem CID108764722
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C23H23ClN2O4/c24-15-9-10-20-18(14-15)19(11-13-30-20)25-21(27)8-2-1-5-12-26-22(28)16-6-3-4-7-17(16)23(26)29/h3-4,6-7,9-10,14,19H,1-2,5,8,11-13H2,(H,25,27)
InChIKeyYXYLZKGLGQGJAY-UHFFFAOYSA-N
XLogP4.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide
CID 108742214
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
CID 108764801
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108764717
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108764719
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46970464
2-(1,3-dioxoisoindol-2-yl)-N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 94486393
N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide
CID 68795382
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108764701
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide (CID 108764722) is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1CCOc2ccc(Cl)cc21.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The InChIKey is YXYLZKGLGQGJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c24-15-9-10-20-18(14-15)19(11-13-30-20)25-21(27)8-2-1-5-12-26-22(28)16-6-3-4-7-17(16)23(26)29/h3-4,6-7,9-10,14,19H,1-2,5,8,11-13H2,(H,25,27).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide?
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide has a molecular weight of 426.90 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide is sourced from PubChem (CID 108764722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).