N-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide

C21H19NO3 — CID 86294770

IUPACN-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCc3ccc4ccccc4c3O2)cc1
InChIInChI=1S/C21H19NO3/c1-24-17-11-9-16(10-12-17)22-21(23)19-13-8-15-7-6-14-4-2-3-5-18(14)20(15)25-19/h2-7,9-12,19H,8,13H2,1H3,(H,22,23)
InChIKeySQNIOGKOPOHHEE-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.18
Rot. Bonds3

About N-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide

N-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide (PubChem CID 86294770) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
PubChem CID86294770
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCc3ccc4ccccc4c3O2)cc1
InChIInChI=1S/C21H19NO3/c1-24-17-11-9-16(10-12-17)22-21(23)19-13-8-15-7-6-14-4-2-3-5-18(14)20(15)25-19/h2-7,9-12,19H,8,13H2,1H3,(H,22,23)
InChIKeySQNIOGKOPOHHEE-UHFFFAOYSA-N
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide (CID 86294770) is N-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide is COc1ccc(NC(=O)C2CCc3ccc4ccccc4c3O2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
The InChIKey is SQNIOGKOPOHHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-24-17-11-9-16(10-12-17)22-21(23)19-13-8-15-7-6-14-4-2-3-5-18(14)20(15)25-19/h2-7,9-12,19H,8,13H2,1H3,(H,22,23).
What are the key properties of N-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
N-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide is sourced from PubChem (CID 86294770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).