6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

C24H29ClN2O5 — CID 43013526

IUPAC6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C24H29ClN2O5/c1-3-30-22-14-20(27-7-9-29-10-8-27)23(31-4-2)13-19(22)26-24(28)17-11-16-12-18(25)5-6-21(16)32-15-17/h5-6,12-14,17H,3-4,7-11,15H2,1-2H3,(H,26,28)
InChIKeyJSWBQNSHQZTMSA-UHFFFAOYSA-N
MW460.96 g/mol
LogP4.16
Rot. Bonds7

About 6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 43013526) has the molecular formula C24H29ClN2O5 and a molecular weight of 460.96 g/mol. Its IUPAC name is 6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID43013526
Molecular FormulaC24H29ClN2O5
Molecular Weight460.96 g/mol
Exact Mass460.18
IUPAC Name6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C24H29ClN2O5/c1-3-30-22-14-20(27-7-9-29-10-8-27)23(31-4-2)13-19(22)26-24(28)17-11-16-12-18(25)5-6-21(16)32-15-17/h5-6,12-14,17H,3-4,7-11,15H2,1-2H3,(H,26,28)
InChIKeyJSWBQNSHQZTMSA-UHFFFAOYSA-N
XLogP4.16
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4805862
(1R,6R)-6-[(2,5-diethoxy-4-morpholin-4-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1139568
4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 26664489
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-nitrocyclopropane-1-carboxamide
CID 55771739
(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9083772
(3R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 41030803
(3S)-6-chloro-N-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41492257
(3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40974407
(3R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41307340
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4820653
3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55414222

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 43013526) is 6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is JSWBQNSHQZTMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O5/c1-3-30-22-14-20(27-7-9-29-10-8-27)23(31-4-2)13-19(22)26-24(28)17-11-16-12-18(25)5-6-21(16)32-15-17/h5-6,12-14,17H,3-4,7-11,15H2,1-2H3,(H,26,28).
What are the key properties of 6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 460.96 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 43013526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).