N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C19H16N2O4 — CID 46628982

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)C3COc4ccccc4C3)cc2C1=O
InChIInChI=1S/C19H16N2O4/c1-21-18(23)14-7-6-13(9-15(14)19(21)24)20-17(22)12-8-11-4-2-3-5-16(11)25-10-12/h2-7,9,12H,8,10H2,1H3,(H,20,22)
InChIKeySWYFTMJTRLLSPU-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.10
Rot. Bonds2

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 46628982) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID46628982
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)C3COc4ccccc4C3)cc2C1=O
InChIInChI=1S/C19H16N2O4/c1-21-18(23)14-7-6-13(9-15(14)19(21)24)20-17(22)12-8-11-4-2-3-5-16(11)25-10-12/h2-7,9,12H,8,10H2,1H3,(H,20,22)
InChIKeySWYFTMJTRLLSPU-UHFFFAOYSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.10
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

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 23731931
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
(3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 176592594
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95153639
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057632
(3R)-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 175866896
N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134042695
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 46628982) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide is CN1C(=O)c2ccc(NC(=O)C3COc4ccccc4C3)cc2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SWYFTMJTRLLSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-21-18(23)14-7-6-13(9-15(14)19(21)24)20-17(22)12-8-11-4-2-3-5-16(11)25-10-12/h2-7,9,12H,8,10H2,1H3,(H,20,22).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 46628982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).