3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide

C19H20ClNO3 — CID 108811035

IUPAC3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESCc1ccc2c(c1)C(NC(=O)CCOc1ccccc1Cl)CCO2
InChIInChI=1S/C19H20ClNO3/c1-13-6-7-17-14(12-13)16(8-10-23-17)21-19(22)9-11-24-18-5-3-2-4-15(18)20/h2-7,12,16H,8-11H2,1H3,(H,21,22)
InChIKeyRRUQFHYSANUJEI-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.06
Rot. Bonds5

About 3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide

3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide (PubChem CID 108811035) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
PubChem CID108811035
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESCc1ccc2c(c1)C(NC(=O)CCOc1ccccc1Cl)CCO2
InChIInChI=1S/C19H20ClNO3/c1-13-6-7-17-14(12-13)16(8-10-23-17)21-19(22)9-11-24-18-5-3-2-4-15(18)20/h2-7,12,16H,8-11H2,1H3,(H,21,22)
InChIKeyRRUQFHYSANUJEI-UHFFFAOYSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757527
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide
CID 108811014
4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757532
4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
CID 108734145
(E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
CID 108757471
2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734105
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
CID 108764801
2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18196743
4-[(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-4-oxobutanoic acid
CID 110481780
2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46829045
3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 86930369
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide (CID 108811035) is 3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide is Cc1ccc2c(c1)C(NC(=O)CCOc1ccccc1Cl)CCO2.
What is the InChIKey of 3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide?
The InChIKey is RRUQFHYSANUJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-13-6-7-17-14(12-13)16(8-10-23-17)21-19(22)9-11-24-18-5-3-2-4-15(18)20/h2-7,12,16H,8-11H2,1H3,(H,21,22).
What are the key properties of 3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide?
3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide is sourced from PubChem (CID 108811035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).