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

C20H22ClNO3 — CID 108757527

IUPAC4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
SMILESCc1ccc2c(c1)C(NC(=O)CCCOc1ccccc1Cl)CCO2
InChIInChI=1S/C20H22ClNO3/c1-14-8-9-18-15(13-14)17(10-12-25-18)22-20(23)7-4-11-24-19-6-3-2-5-16(19)21/h2-3,5-6,8-9,13,17H,4,7,10-12H2,1H3,(H,22,23)
InChIKeyMBRBZPHZFVWITN-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.45
Rot. Bonds6

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

4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide (PubChem CID 108757527) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
PubChem CID108757527
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
SMILESCc1ccc2c(c1)C(NC(=O)CCCOc1ccccc1Cl)CCO2
InChIInChI=1S/C20H22ClNO3/c1-14-8-9-18-15(13-14)17(10-12-25-18)22-20(23)7-4-11-24-19-6-3-2-5-16(19)21/h2-3,5-6,8-9,13,17H,4,7,10-12H2,1H3,(H,22,23)
InChIKeyMBRBZPHZFVWITN-UHFFFAOYSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108811035
4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757532
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
CID 108764801
(E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
CID 108757471
4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
CID 108734145
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide
CID 108811014
2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734105
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
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide (CID 108757527) is 4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide is Cc1ccc2c(c1)C(NC(=O)CCCOc1ccccc1Cl)CCO2.
What is the InChIKey of 4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide?
The InChIKey is MBRBZPHZFVWITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-14-8-9-18-15(13-14)17(10-12-25-18)22-20(23)7-4-11-24-19-6-3-2-5-16(19)21/h2-3,5-6,8-9,13,17H,4,7,10-12H2,1H3,(H,22,23).
What are the key properties of 4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide?
4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide has a molecular weight of 359.85 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide is sourced from PubChem (CID 108757527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).