6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C24H16Cl2N2O4 — CID 55726005

IUPAC6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C24H16Cl2N2O4/c25-15-5-8-21-13(10-15)9-14(12-32-21)22(29)27-16-6-7-20(19(26)11-16)28-23(30)17-3-1-2-4-18(17)24(28)31/h1-8,10-11,14H,9,12H2,(H,27,29)
InChIKeyYQZDSNDKGIXJBF-UHFFFAOYSA-N
MW467.31 g/mol
LogP4.98
Rot. Bonds3

About 6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 55726005) has the molecular formula C24H16Cl2N2O4 and a molecular weight of 467.31 g/mol. Its IUPAC name is 6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID55726005
Molecular FormulaC24H16Cl2N2O4
Molecular Weight467.31 g/mol
Exact Mass466.05
IUPAC Name6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C24H16Cl2N2O4/c25-15-5-8-21-13(10-15)9-14(12-32-21)22(29)27-16-6-7-20(19(26)11-16)28-23(30)17-3-1-2-4-18(17)24(28)31/h1-8,10-11,14H,9,12H2,(H,27,29)
InChIKeyYQZDSNDKGIXJBF-UHFFFAOYSA-N
XLogP4.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.31
LogP ≤ 54.98
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

(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9091469
(3S)-6-chloro-N-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41492257
6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55609725
6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24655378
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
(3S)-6-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496367
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55778539
(3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8870253
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55778383
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46628982
6-chloro-N-(2-hydroxy-1-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 110001475
N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 46540201

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 55726005) is 6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is YQZDSNDKGIXJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N2O4/c25-15-5-8-21-13(10-15)9-14(12-32-21)22(29)27-16-6-7-20(19(26)11-16)28-23(30)17-3-1-2-4-18(17)24(28)31/h1-8,10-11,14H,9,12H2,(H,27,29).
What are the key properties of 6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 467.31 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 55726005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).