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

C24H17ClN2O4 — CID 108764719

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(NC1CCOc2ccc(Cl)cc21)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H17ClN2O4/c25-15-7-10-21-19(13-15)20(11-12-31-21)26-22(28)14-5-8-16(9-6-14)27-23(29)17-3-1-2-4-18(17)24(27)30/h1-10,13,20H,11-12H2,(H,26,28)
InChIKeyYWWRLTINFVWULR-UHFFFAOYSA-N
MW432.86 g/mol
LogP4.39
Rot. Bonds3

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

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 108764719) has the molecular formula C24H17ClN2O4 and a molecular weight of 432.86 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID108764719
Molecular FormulaC24H17ClN2O4
Molecular Weight432.86 g/mol
Exact Mass432.09
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(NC1CCOc2ccc(Cl)cc21)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H17ClN2O4/c25-15-7-10-21-19(13-15)20(11-12-31-21)26-22(28)14-5-8-16(9-6-14)27-23(29)17-3-1-2-4-18(17)24(27)30/h1-10,13,20H,11-12H2,(H,26,28)
InChIKeyYWWRLTINFVWULR-UHFFFAOYSA-N
XLogP4.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 108764722
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108764717
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797756
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
CID 108742241
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1188835
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 4826631

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide (CID 108764719) is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide is O=C(NC1CCOc2ccc(Cl)cc21)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is YWWRLTINFVWULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O4/c25-15-7-10-21-19(13-15)20(11-12-31-21)26-22(28)14-5-8-16(9-6-14)27-23(29)17-3-1-2-4-18(17)24(27)30/h1-10,13,20H,11-12H2,(H,26,28).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 432.86 g/mol, XLogP of 4.39, 3 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)-4-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 108764719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).