2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

C19H21ClN2O2 — CID 17413789

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCN(CC(=O)NC1CCOc2ccccc21)Cc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-22(12-14-5-4-6-15(20)11-14)13-19(23)21-17-9-10-24-18-8-3-2-7-16(17)18/h2-8,11,17H,9-10,12-13H2,1H3,(H,21,23)
InChIKeyNFPIIGOEKRIDLQ-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.41
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 17413789) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID17413789
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCN(CC(=O)NC1CCOc2ccccc21)Cc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-22(12-14-5-4-6-15(20)11-14)13-19(23)21-17-9-10-24-18-8-3-2-7-16(17)18/h2-8,11,17H,9-10,12-13H2,1H3,(H,21,23)
InChIKeyNFPIIGOEKRIDLQ-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 17413789) is 2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is CN(CC(=O)NC1CCOc2ccccc21)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is NFPIIGOEKRIDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-22(12-14-5-4-6-15(20)11-14)13-19(23)21-17-9-10-24-18-8-3-2-7-16(17)18/h2-8,11,17H,9-10,12-13H2,1H3,(H,21,23).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 17413789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).